A0A087XFY4_POEFO Loading...

Mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A087XFY4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 361 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.3Very low79Confident242 Ų242105.4 Ų105.4100%1.19253%0.529SS*.  0124.60-73.8-178.9177.200108.8R3M1-R3 PolarHBondContact O-N 3.03Å
2A54.7Low80.2Confident96 Ų96102.3 Ų102.379%0.79351%0.512SS*.PPolyproline II helixtrans-63.6119.2177.900000109.5R4A2-R4 PolarHBondContact O-N 3.12Å
3R65.3Low81.3Confident103 Ų103104.7 Ų104.739%0.38952%0.52SS..PPolyproline II helixtrans-58.5120.1179.2-176.6-178-174-1692.4109.1M1 V5 R11 D94M1-R3 PolarHBondContact O-N 3.03Å; R3-V5 PolarHBondContact O-N 3.48Å; R3-R11 PolarHBondContact O-NH2 2.63Å; R3-D94 IonicContact CZ-OD1 3.23Å; R3-D94 IonicContact NH1-OD1 3.31Å; R3-D94 PolarHBondContact NH1-OD1 3.2Å; R3-D94 IonicContact NH2-OD1 2.7Å; R3-D94 PolarHBondContact NH2-OD1 3.19Å
4R73Confident82Confident239 Ų23998.4 Ų98.490%0.90249%0.489SS*.PPolyproline II helixtrans-58128.3177.6-138.1177.2-172.9-177.51.5109.1A2A2-R4 PolarHBondContact O-N 3.12Å
5V81.4Confident82.3Confident50 Ų5099.3 Ų99.330%0.30350%0.497SS..PPolyproline II helixtrans-71.5141.3178.5-173.90000109R3 F9 R11R3-V5 PolarHBondContact O-N 3.48Å; V5-F9 HydrophobicContact CG1-CB 3.88Å; V5-F9 WeakPolarHBondContact CG1-O 3.42Å; V5-R11 HydrophobicContact CG2-CB 3.91Å
6R86.1Confident82.5Confident90 Ų90105.3 Ų105.334%0.3452%0.518SS..PPolyproline II helixtrans-60.1136.2176.2177.1-177.3170.7173.66.3109.6G8 F9 T92 L95R6-G8 PolarHBondContact O-N 2.95Å; R6-F9 HydrophobicContact CB-CB 4.42Å; R6-F9 HydrophobicContact CB-CD2 4.15Å; R6-F9 HydrophobicContact CB-CG 4.37Å; R6-F9 HydrophobicContact CG-CD2 3.99Å; R6-F9 HydrophobicContact CG-CE2 4.35Å; R6-F9 WeakPolarHBondContact O-CB 3.4Å; R6-F9 PolarHBondContact O-N 3.1Å; R6-T92 PolarHBondContact NH1-O 3.28Å; R6-L95 HydrophobicContact CG-CD1 4.47Å; R6-L95 HydrophobicContact CG-CD2 4.13Å; R6-L95 HydrophobicContact CG-CG 4.34Å; R6-L95 VanDerWaalsContact CZ-CD2 3.45Å; R6-L95 VanDerWaalsContact NE-CD2 3.31Å
7P90.4Very high82.8Confident119 Ų11999.9 Ų99.977%0.77349%0.494SS*.THydrogen-bonded Turntrans-53.3134.8172-26.534.8000112F9P7-F9 VanDerWaalsContact C-N 3.35Å
8G92.3Very high83.3Confident42 Ų4298.1 Ų98.143%0.43349%0.489SS..THydrogen-bonded Turntrans84.45.4-175.300000114.9R6 P22 D23R6-G8 PolarHBondContact O-N 2.95Å; G8-P22 CarbonylContact O-C 3.52Å; G8-P22 VanDerWaalsContact O-CA 3.3Å; G8-P22 WeakPolarHBondContact O-CA 3.43Å; G8-D23 WeakPolarHBondContact CA-OD2 3.27Å; G8-D23 PolarHBondContact O-N 2.94Å
9F95.7Very high83.9Confident27 Ų2792.9 Ų92.912%0.11846%0.463CS..EExtended strand (participates in β ladder)trans-124152.3173.6-73.3-119000109.4V5 R6 P7 V21 P22 F91 A93V5-F9 HydrophobicContact CG1-CB 3.88Å; V5-F9 WeakPolarHBondContact CG1-O 3.42Å; R6-F9 HydrophobicContact CB-CB 4.42Å; R6-F9 HydrophobicContact CB-CD2 4.15Å; R6-F9 HydrophobicContact CB-CG 4.37Å; R6-F9 HydrophobicContact CG-CD2 3.99Å; R6-F9 HydrophobicContact CG-CE2 4.35Å; R6-F9 WeakPolarHBondContact O-CB 3.4Å; R6-F9 PolarHBondContact O-N 3.1Å; P7-F9 VanDerWaalsContact C-N 3.35Å; F9-V21 CarbonylContact C-O 3.53Å; F9-V21 VanDerWaalsContact CA-O 3.22Å; F9-V21 WeakPolarHBondContact CA-O 3.41Å; F9-V21 WeakPolarHBondContact CB-O 3.32Å; F9-V21 VanDerWaalsContact CD1-C 3.41Å; F9-P22 HydrophobicContact CD1-CG 4.34Å; F9-P22 HydrophobicContact CE1-CG 3.83Å; F9-P22 HydrophobicContact CE2-CG 4.3Å; F9-P22 HydrophobicContact CZ-CG 3.79Å; F9-F91 AromaticContact CE1-CD2 3.88Å; F9-F91 HydrophobicContact CE1-CD2 3.88Å; F9-F91 HydrophobicContact CE1-CE2 4.39Å; F9-F91 HydrophobicContact CZ-CD2 4.43Å; F9-A93 HydrophobicContact CD1-CB 4.1Å; F9-A93 HydrophobicContact CE1-CB 4.14Å
10Y95.2Very high84.5Confident56 Ų5689.8 Ų89.822%0.2245%0.447CS..EExtended strand (participates in β ladder)trans-121.616116772.9-84.8000110.6Q12 E20 V21 D23 Y25 L28Y10-Q12 HydrophobicContact CD2-CB 4.3Å; Y10-Q12 HydrophobicContact CE2-CB 3.94Å; Y10-E20 WeakPolarHBondContact O-CA 3.36Å; Y10-V21 HydrophobicContact CD1-CG2 4.01Å; Y10-V21 WeakPolarHBondContact CD1-O 3.35Å; Y10-V21 HydrophobicContact CE1-CG2 3.36Å; Y10-V21 HydrophobicContact CE2-CG2 3.92Å; Y10-V21 PolarHBondContact N-O 3.1Å; Y10-V21 PolarHBondContact O-N 3.33Å; Y10-V21 VanDerWaalsContact O-N 3.11Å; Y10-V21 WeakPolarHBondContact OH-CG2 3.48Å; Y10-D23 PolarHBondContact N-OD1 3.06Å; Y10-Y25 VanDerWaalsContact CE1-O 3.27Å; Y10-Y25 WeakPolarHBondContact CE1-O 3.39Å; Y10-Y25 PolarHBondContact OH-O 3.1Å; Y10-L28 WeakPolarHBondContact OH-CD1 3.3Å
11R94.6Very high85Confident95 Ų9585.5 Ų85.536%0.35843%0.426SS..EExtended strand (participates in β ladder)trans-110.7132.2177.9-174.4-175.9-76.6156.98.6110.2R3 V5 V18 W19 E20R3-R11 PolarHBondContact O-NH2 2.63Å; V5-R11 HydrophobicContact CG2-CB 3.91Å; R11-V18 VanDerWaalsContact CD-CG1 3.5Å; R11-V18 HydrophobicContact CG-CG1 3.52Å; R11-W19 CarbonylContact C-O 3.5Å; R11-W19 VanDerWaalsContact CA-O 3.26Å; R11-W19 WeakPolarHBondContact CA-O 3.25Å; R11-E20 HydrophobicContact CB-CG 4.26Å; R11-E20 HydrophobicContact CG-CG 4.15Å; R11-E20 IonicContact CZ-OE1 3.37Å; R11-E20 IonicContact NE-OE1 3.41Å; R11-E20 PolarHBondContact NE-OE1 3Å; R11-E20 IonicContact NH2-OE1 2.94Å; R11-E20 PolarHBondContact NH2-OE1 3.24Å
12Q94.1Very high87.7Confident69 Ų6974.7 Ų74.732%0.32237%0.373SS..EExtended strand (participates in β ladder)trans-138.3141.4174.3-175.3179.91.600110Y10 I14 W19Y10-Q12 HydrophobicContact CD2-CB 4.3Å; Y10-Q12 HydrophobicContact CE2-CB 3.94Å; Q12-I14 HydrophobicContact CG-CD1 4.36Å; Q12-I14 HydrophobicContact CG-CG1 3.94Å; Q12-W19 PolarHBondContact N-O 3.36Å; Q12-W19 PolarHBondContact O-N 2.52Å
13E93.8Very high89.7Confident133 Ų13373.5 Ų73.562%0.62135%0.354SS*.EExtended strand (participates in β ladder)trans-94.5127.7170.5-169.6176.4160.300109.9K16 S17E13-K16 WeakPolarHBondContact OE1-CA 3.06Å; E13-S17 WeakPolarHBondContact CA-O 3.36Å
14I90.9Very high91.1Very high16 Ų1670.6 Ų70.68%0.08234%0.343CS..EExtended strand (participates in β ladder)trans-133.5116.8-179.5-56.3179.2000107.4Q12 K16 S17 W19 L28 Q30Q12-I14 HydrophobicContact CG-CD1 4.36Å; Q12-I14 HydrophobicContact CG-CG1 3.94Å; I14-K16 VanDerWaalsContact C-N 3.32Å; I14-K16 PolarHBondContact O-N 3.44Å; I14-S17 PolarHBondContact N-O 3.28Å; I14-S17 WeakPolarHBondContact O-CB 3.36Å; I14-S17 PolarHBondContact O-N 3.49Å; I14-W19 HydrophobicContact CD1-CG 4.29Å; I14-L28 HydrophobicContact CD1-CB 3.36Å; I14-L28 HydrophobicContact CD1-CD2 3.78Å; I14-L28 HydrophobicContact CD1-CG 4.21Å; I14-Q30 HydrophobicContact CG2-CB 3.71Å; I14-Q30 HydrophobicContact CG2-CG 3.91Å
15N86.3Confident92.3Very high113 Ų11359.3 Ų59.360%0.60430%0.3SS*.THydrogen-bonded Turntrans47.450.5-177.7-76.66000113.6S17 Q30N15-S17 PolarHBondContact O-N 3.03Å; N15-S17 VanDerWaalsContact O-N 3.15Å; N15-Q30 HydrophobicContact CB-CG 4.13Å; N15-Q30 VanDerWaalsContact CG-CG 3.48Å; N15-Q30 WeakPolarHBondContact ND2-CG 3.31Å; N15-Q30 PolarHBondContact ND2-OE1 3Å
16K86Confident93Very high194 Ų19463.6 Ų63.684%0.84331%0.311SS*.THydrogen-bonded Turntrans65.211.2179.8-48.8178-179.3179.90114.8E13 I14E13-K16 WeakPolarHBondContact OE1-CA 3.06Å; I14-K16 VanDerWaalsContact C-N 3.32Å; I14-K16 PolarHBondContact O-N 3.44Å
17S88.3Confident93.4Very high15 Ų1564.4 Ų64.411%0.10532%0.322CS..EExtended strand (participates in β ladder)trans-109.4129.5172.2-173.20000109.2E13 I14 N15 W19E13-S17 WeakPolarHBondContact CA-O 3.36Å; I14-S17 PolarHBondContact N-O 3.28Å; I14-S17 WeakPolarHBondContact O-CB 3.36Å; I14-S17 PolarHBondContact O-N 3.49Å; N15-S17 PolarHBondContact O-N 3.03Å; N15-S17 VanDerWaalsContact O-N 3.15Å; S17-W19 VanDerWaalsContact O-CD1 3.25Å
18V91.9Very high93.7Very high66 Ų6659.3 Ų59.340%0.429%0.288SS..EExtended strand (participates in β ladder)trans-84.4121.3176.8179.80000109.1R11 K55R11-V18 VanDerWaalsContact CD-CG1 3.5Å; R11-V18 HydrophobicContact CG-CG1 3.52Å; V18-K55 PolarHBondContact O-NZ 3.2Å
19W94.6Very high93.8Very high0 Ų061.9 Ų61.90%029%0.291CS..EExtended strand (participates in β ladder)trans-103.4130.8176.3-69.873.2000109.6R11 Q12 I14 S17 V21 L28 T38 C40 I53 K55R11-W19 CarbonylContact C-O 3.5Å; R11-W19 VanDerWaalsContact CA-O 3.26Å; R11-W19 WeakPolarHBondContact CA-O 3.25Å; Q12-W19 PolarHBondContact N-O 3.36Å; Q12-W19 PolarHBondContact O-N 2.52Å; I14-W19 HydrophobicContact CD1-CG 4.29Å; S17-W19 VanDerWaalsContact O-CD1 3.25Å; W19-V21 HydrophobicContact CB-CG1 4.31Å; W19-V21 HydrophobicContact CE3-CG1 3.97Å; W19-L28 HydrophobicContact CB-CD2 4.38Å; W19-L28 HydrophobicContact CD2-CD2 4.32Å; W19-L28 HydrophobicContact CE3-CD2 4.03Å; W19-L28 HydrophobicContact CG-CD2 4.47Å; W19-T38 VanDerWaalsContact CH2-O 3.3Å; W19-T38 WeakPolarHBondContact CH2-O 3.44Å; W19-T38 HydrophobicContact CZ2-CG2 3.78Å; W19-C40 HydrophobicContact CH2-CB 4.12Å; W19-C40 HydrophobicContact CZ2-CB 4.48Å; W19-C40 WeakPolarHBondContact CZ2-SG 3.21Å; W19-C40 HydrophobicContact CZ3-CB 4.38Å; W19-I53 WeakPolarHBondContact CH2-O 3.45Å; W19-I53 HydrophobicContact CZ3-CB 4.35Å; W19-I53 HydrophobicContact CZ3-CG2 3.96Å; W19-K55 HydrophobicContact CD2-CB 4.44Å; W19-K55 HydrophobicContact CD2-CD 4.23Å; W19-K55 HydrophobicContact CE3-CB 4.05Å; W19-K55 HydrophobicContact CE3-CD 4.42Å; W19-K55 HydrophobicContact CH2-CB 3.42Å; W19-K55 VanDerWaalsContact CH2-CB 3.42Å; W19-K55 HydrophobicContact CZ2-CB 3.81Å; W19-K55 HydrophobicContact CZ3-CB 3.55Å
20E94.8Very high93.8Very high31 Ų3163.3 Ų63.315%0.14530%0.298CS..EExtended strand (participates in β ladder)trans-118107.4167.5-70.2-175.8-168.800107Y10 R11 A93Y10-E20 WeakPolarHBondContact O-CA 3.36Å; R11-E20 HydrophobicContact CB-CG 4.26Å; R11-E20 HydrophobicContact CG-CG 4.15Å; R11-E20 IonicContact CZ-OE1 3.37Å; R11-E20 IonicContact NE-OE1 3.41Å; R11-E20 PolarHBondContact NE-OE1 3Å; R11-E20 IonicContact NH2-OE1 2.94Å; R11-E20 PolarHBondContact NH2-OE1 3.24Å; E20-A93 HydrophobicContact CB-CB 3.62Å; E20-A93 VanDerWaalsContact OE2-CB 3.26Å; E20-A93 WeakPolarHBondContact OE2-CB 3.23Å
21V96Very high93.5Very high0 Ų063.5 Ų63.50%031%0.305CS..EExtended strand (participates in β ladder)trans-129.4149.6-170.7-63.90000110.5F9 Y10 W19 L28 F91F9-V21 CarbonylContact C-O 3.53Å; F9-V21 VanDerWaalsContact CA-O 3.22Å; F9-V21 WeakPolarHBondContact CA-O 3.41Å; F9-V21 WeakPolarHBondContact CB-O 3.32Å; F9-V21 VanDerWaalsContact CD1-C 3.41Å; Y10-V21 HydrophobicContact CD1-CG2 4.01Å; Y10-V21 WeakPolarHBondContact CD1-O 3.35Å; Y10-V21 HydrophobicContact CE1-CG2 3.36Å; Y10-V21 HydrophobicContact CE2-CG2 3.92Å; Y10-V21 PolarHBondContact N-O 3.1Å; Y10-V21 PolarHBondContact O-N 3.33Å; Y10-V21 VanDerWaalsContact O-N 3.11Å; Y10-V21 WeakPolarHBondContact OH-CG2 3.48Å; W19-V21 HydrophobicContact CB-CG1 4.31Å; W19-V21 HydrophobicContact CE3-CG1 3.97Å; V21-L28 HydrophobicContact CG1-CD2 4.04Å; V21-L28 HydrophobicContact CG2-CD1 4.36Å; V21-L28 HydrophobicContact CG2-CD2 3.98Å; V21-F91 HydrophobicContact CB-CE2 4.25Å; V21-F91 HydrophobicContact CB-CZ 4.1Å; V21-F91 HydrophobicContact CG1-CE2 3.99Å; V21-F91 HydrophobicContact CG1-CZ 3.83Å
22P96.6Very high93Very high14 Ų1460.2 Ų60.29%0.09130%0.301CS..EExtended strand (participates in β ladder)trans-56.5143.2175.4-25.732.4000112.5G8 F9 R24 Y25 F91G8-P22 CarbonylContact O-C 3.52Å; G8-P22 VanDerWaalsContact O-CA 3.3Å; G8-P22 WeakPolarHBondContact O-CA 3.43Å; F9-P22 HydrophobicContact CD1-CG 4.34Å; F9-P22 HydrophobicContact CE1-CG 3.83Å; F9-P22 HydrophobicContact CE2-CG 4.3Å; F9-P22 HydrophobicContact CZ-CG 3.79Å; P22-R24 HydrophobicContact CB-CB 4.36Å; P22-R24 PolarHBondContact O-N 3.14Å; P22-Y25 HydrophobicContact CB-CD2 4.13Å; P22-Y25 HydrophobicContact CB-CE2 4.41Å; P22-Y25 HydrophobicContact CG-CD2 4.11Å; P22-Y25 HydrophobicContact CG-CE2 4.17Å; P22-Y25 PolarHBondContact O-N 3Å; P22-F91 VanDerWaalsContact CD-CZ 3.47Å; P22-F91 HydrophobicContact CG-CB 4.44Å; P22-F91 HydrophobicContact CG-CD1 4.03Å; P22-F91 HydrophobicContact CG-CD2 4.08Å; P22-F91 HydrophobicContact CG-CE1 4.25Å; P22-F91 HydrophobicContact CG-CE2 4.32Å; P22-F91 HydrophobicContact CG-CG 3.93Å; P22-F91 HydrophobicContact CG-CZ 4.39Å
23D96.2Very high92.4Very high71 Ų7161.3 Ų61.338%0.3831%0.313SS..THydrogen-bonded Turntrans-57.5-15.4178.4-62.5-33.5000114.1G8 Y10 R26G8-D23 WeakPolarHBondContact CA-OD2 3.27Å; G8-D23 PolarHBondContact O-N 2.94Å; Y10-D23 PolarHBondContact N-OD1 3.06Å; D23-R26 PolarHBondContact O-NE 2.99Å
24R96Very high91.4Very high43 Ų4357.2 Ų57.216%0.16231%0.306CS..THydrogen-bonded Turntrans-60.2-42.9172.2173.8179.9-177.3-174.94112.4P22 D44 S45 R46 D89P22-R24 HydrophobicContact CB-CB 4.36Å; P22-R24 PolarHBondContact O-N 3.14Å; R24-D44 VanDerWaalsContact CG-OD1 3.29Å; R24-D44 WeakPolarHBondContact CG-OD1 3.34Å; R24-D44 IonicContact CZ-OD1 2.71Å; R24-D44 IonicContact CZ-OD2 3.51Å; R24-D44 IonicContact NE-OD1 2.78Å; R24-D44 PolarHBondContact NE-OD1 3.32Å; R24-D44 IonicContact NE-OD2 3.33Å; R24-D44 PolarHBondContact NE-OD2 3.29Å; R24-D44 IonicContact NH2-OD1 3.76Å; R24-D44 PolarHBondContact NH2-OD1 2.85Å; R24-D44 IonicContact NH2-OD2 2.86Å; R24-D44 PolarHBondContact NH2-OD2 3.26Å; R24-S45 WeakPolarHBondContact CA-OG 3.35Å; R24-S45 WeakPolarHBondContact O-CB 3.37Å; R24-S45 PolarHBondContact O-N 2.89Å; R24-S45 PolarHBondContact O-OG 3.45Å; R24-R46 HydrophobicContact CG-CG 4.08Å; R24-D89 IonicContact NH1-OD2 3.85Å
25Y97.7Very high90.4Very high1 Ų160.3 Ų60.30%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-96.2112.3-173.4-59.3-62.7000108.9Y10 P22 L43 D44 V51 I53 D89 F91 V106Y10-Y25 VanDerWaalsContact CE1-O 3.27Å; Y10-Y25 WeakPolarHBondContact CE1-O 3.39Å; Y10-Y25 PolarHBondContact OH-O 3.1Å; P22-Y25 HydrophobicContact CB-CD2 4.13Å; P22-Y25 HydrophobicContact CB-CE2 4.41Å; P22-Y25 HydrophobicContact CG-CD2 4.11Å; P22-Y25 HydrophobicContact CG-CE2 4.17Å; P22-Y25 PolarHBondContact O-N 3Å; Y25-L43 WeakPolarHBondContact CA-O 3.23Å; Y25-D44 HydrophobicContact CD1-CB 4.19Å; Y25-D44 HydrophobicContact CE1-CB 4.15Å; Y25-V51 HydrophobicContact CD1-CG2 3.8Å; Y25-V51 HydrophobicContact CE1-CG2 3.99Å; Y25-I53 HydrophobicContact CD1-CD1 4.07Å; Y25-I53 HydrophobicContact CD2-CD1 3.99Å; Y25-I53 HydrophobicContact CG-CD1 3.62Å; Y25-D89 WeakPolarHBondContact OH-CB 3.26Å; Y25-D89 VanDerWaalsContact OH-CG 3.31Å; Y25-D89 PolarHBondContact OH-OD2 3.04Å; Y25-F91 AromaticContact CD2-CE1 3.94Å; Y25-F91 HydrophobicContact CD2-CE1 3.94Å; Y25-F91 HydrophobicContact CD2-CZ 4.49Å; Y25-F91 HydrophobicContact CE2-CD1 4.08Å; Y25-F91 AromaticContact CE2-CE1 3.75Å; Y25-F91 HydrophobicContact CE2-CE1 3.75Å; Y25-V106 HydrophobicContact CE1-CG1 4.03Å; Y25-V106 HydrophobicContact CE2-CG2 4.06Å
26R95.4Very high89.7Confident140 Ų14058.5 Ų58.553%0.52832%0.319SS..EExtended strand (participates in β ladder)trans-114.5169-173.2-61.1-173.7-179.7-173.30.1111.6D23 L28 A42 L43D23-R26 PolarHBondContact O-NE 2.99Å; R26-L28 PolarHBondContact O-N 3.33Å; R26-A42 CarbonylContact O-C 3.58Å; R26-A42 WeakPolarHBondContact O-CA 3.11Å; R26-A42 WeakPolarHBondContact O-CB 3.43Å; R26-L43 PolarHBondContact N-O 3.36Å; R26-L43 PolarHBondContact O-N 3.42Å
27D95.3Very high89.7Confident108 Ų10849.4 Ų49.458%0.57828%0.281SS*.EExtended strand (participates in β ladder)trans53.552.3172.1-51.6-36.5000113.3I29D27-I29 PolarHBondContact O-N 2.99Å
28L96.5Very high89.8Confident12 Ų1248.8 Ų48.86%0.06328%0.276CS..EExtended strand (participates in β ladder)trans-64.6121.6-178-86.458000110.6Y10 I14 W19 V21 R26 C40 S41 A42Y10-L28 WeakPolarHBondContact OH-CD1 3.3Å; I14-L28 HydrophobicContact CD1-CB 3.36Å; I14-L28 HydrophobicContact CD1-CD2 3.78Å; I14-L28 HydrophobicContact CD1-CG 4.21Å; W19-L28 HydrophobicContact CB-CD2 4.38Å; W19-L28 HydrophobicContact CD2-CD2 4.32Å; W19-L28 HydrophobicContact CE3-CD2 4.03Å; W19-L28 HydrophobicContact CG-CD2 4.47Å; V21-L28 HydrophobicContact CG1-CD2 4.04Å; V21-L28 HydrophobicContact CG2-CD1 4.36Å; V21-L28 HydrophobicContact CG2-CD2 3.98Å; R26-L28 PolarHBondContact O-N 3.33Å; L28-C40 HydrophobicContact CB-CB 4.24Å; L28-C40 HydrophobicContact CG-CB 4.2Å; L28-S41 CarbonylContact C-O 3.55Å; L28-S41 VanDerWaalsContact CA-O 3.27Å; L28-S41 WeakPolarHBondContact CA-O 3.4Å; L28-A42 HydrophobicContact CD1-CB 3.71Å; L28-A42 HydrophobicContact CG-CB 4.23Å
29I94.9Very high89.8Confident95 Ų9547.5 Ų47.549%0.48727%0.268SS..EExtended strand (participates in β ladder)trans-123.3117.2175-59.3161.5000108.8D27 V31 C40 S41D27-I29 PolarHBondContact O-N 2.99Å; I29-V31 WeakPolarHBondContact O-CG2 3.17Å; I29-V31 PolarHBondContact O-N 3.43Å; I29-C40 CarbonylContact O-C 3.59Å; I29-C40 VanDerWaalsContact O-CA 3.28Å; I29-C40 WeakPolarHBondContact O-CA 3.45Å; I29-S41 PolarHBondContact N-O 3.45Å; I29-S41 PolarHBondContact O-N 3.27Å; I29-S41 PolarHBondContact O-OG 3.16Å
30Q93.9Very high89.9Confident57 Ų5747.5 Ų47.527%0.26627%0.268SS..EExtended strand (participates in β ladder)trans-51.9116.1174-174.4-3.5-107.600110.3I14 N15 T33I14-Q30 HydrophobicContact CG2-CB 3.71Å; I14-Q30 HydrophobicContact CG2-CG 3.91Å; N15-Q30 HydrophobicContact CB-CG 4.13Å; N15-Q30 VanDerWaalsContact CG-CG 3.48Å; N15-Q30 WeakPolarHBondContact ND2-CG 3.31Å; N15-Q30 PolarHBondContact ND2-OE1 3Å; Q30-T33 PolarHBondContact NE2-OG1 3.24Å
31V90.2Very high90Very high60 Ų6046.3 Ų46.336%0.36426%0.263SS..EExtended strand (participates in β ladder)trans-101.9-37.5-178175.90000111I29 V39 F109I29-V31 WeakPolarHBondContact O-CG2 3.17Å; I29-V31 PolarHBondContact O-N 3.43Å; V31-V39 HydrophobicContact CB-CG1 4.48Å; V31-V39 PolarHBondContact N-O 3.44Å; V31-F109 HydrophobicContact CG2-CE2 3.99Å
32G84.6Confident90.1Very high27 Ų2746.3 Ų46.328%0.27826%0.263SS..EExtended strand (participates in β ladder)trans-175.2161.6179.400000113.3T38 V39G32-T38 WeakPolarHBondContact O-CG2 3.36Å; G32-V39 PolarHBondContact N-O 2.91Å; G32-V39 PolarHBondContact O-N 3.24Å
33T80.8Confident90.1Very high92 Ų9248.6 Ų48.656%0.56427%0.274SS*.EExtended strand (participates in β ladder)trans-124.6128.7178.2-59.10000108.2Q30 T38 Y57Q30-T33 PolarHBondContact NE2-OG1 3.24Å; T33-T38 PolarHBondContact OG1-OG1 3.32Å; T33-Y57 HydrophobicContact CG2-CE2 4.3Å
34G72.4Confident90.1Very high46 Ų4645.5 Ų45.547%0.47426%0.258SS..EExtended strand (participates in β ladder)trans-119.3177.7174.700000111.6Y36 G37G34-Y36 PolarHBondContact O-N 2.83Å; G34-G37 PolarHBondContact N-O 3.4Å; G34-G37 VanDerWaalsContact O-O 3.1Å
35A69.6Low90.1Very high82 Ų8246.4 Ų46.468%0.67827%0.271SS*.THydrogen-bonded Turntrans-61.9-25.5-179.800000113.6
36Y73.2Confident89.9Confident75 Ų7554.7 Ų54.729%0.29430%0.302SS..THydrogen-bonded Turntrans-113.42.9-171.3-51.4-71.4000113.8G34 L56 Y57 F65 R68G34-Y36 PolarHBondContact O-N 2.83Å; Y36-L56 WeakPolarHBondContact O-CA 3.48Å; Y36-Y57 PolarHBondContact O-N 3.05Å; Y36-F65 AromaticContact CD1-CE1 3.97Å; Y36-F65 HydrophobicContact CD1-CE1 3.97Å; Y36-F65 HydrophobicContact CE1-CE1 4.1Å; Y36-F65 HydrophobicContact CE1-CZ 4.28Å; Y36-R68 VanDerWaalsContact CD2-NH2 3.29Å; Y36-R68 VanDerWaalsContact CE1-NH1 3.29Å; Y36-R68 VanDerWaalsContact CE2-NH1 3.3Å; Y36-R68 PolarHBondContact OH-NH1 3.13Å
37G84.1Confident89.7Confident3 Ų351 Ų513%0.03130%0.295CS..EExtended strand (participates in β ladder)trans167.1-178.8-177.700000113.8G34 K55G34-G37 PolarHBondContact N-O 3.4Å; G34-G37 VanDerWaalsContact O-O 3.1Å; G37-K55 CarbonylContact C-O 3.55Å; G37-K55 WeakPolarHBondContact CA-O 3.19Å
38T90.6Very high89.6Confident1 Ų148.5 Ų48.51%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-125.7145.3172.7-70.80000110W19 G32 T33 K54 K55 Y57W19-T38 VanDerWaalsContact CH2-O 3.3Å; W19-T38 WeakPolarHBondContact CH2-O 3.44Å; W19-T38 HydrophobicContact CZ2-CG2 3.78Å; G32-T38 WeakPolarHBondContact O-CG2 3.36Å; T33-T38 PolarHBondContact OG1-OG1 3.32Å; T38-K54 CarbonylContact O-C 3.54Å; T38-K54 WeakPolarHBondContact O-CA 3.27Å; T38-K55 PolarHBondContact N-O 3.4Å; T38-K55 PolarHBondContact O-N 3.31Å; T38-Y57 WeakPolarHBondContact CB-OH 3.33Å; T38-Y57 WeakPolarHBondContact OG1-CE2 3.35Å; T38-Y57 PolarHBondContact OG1-OH 3.46Å
39V93.2Very high89.4Confident39 Ų3951.3 Ų51.324%0.23631%0.312CS..EExtended strand (participates in β ladder)trans-112.8126.8-179.1-174.60000108.7V31 G32 A52 I53 K54V31-V39 HydrophobicContact CB-CG1 4.48Å; V31-V39 PolarHBondContact N-O 3.44Å; G32-V39 PolarHBondContact N-O 2.91Å; G32-V39 PolarHBondContact O-N 3.24Å; V39-A52 HydrophobicContact CG1-CB 4.08Å; V39-I53 WeakPolarHBondContact CA-O 3.26Å; V39-K54 HydrophobicContact CG2-CB 4.07Å; V39-K54 HydrophobicContact CG2-CG 4.04Å
40C96.2Very high89.5Confident0 Ų052.9 Ų52.90%031%0.312CS..EExtended strand (participates in β ladder)trans-113.3142.1166.6-64.40000109.3W19 L28 I29 A52 I53W19-C40 HydrophobicContact CH2-CB 4.12Å; W19-C40 HydrophobicContact CZ2-CB 4.48Å; W19-C40 WeakPolarHBondContact CZ2-SG 3.21Å; W19-C40 HydrophobicContact CZ3-CB 4.38Å; L28-C40 HydrophobicContact CB-CB 4.24Å; L28-C40 HydrophobicContact CG-CB 4.2Å; I29-C40 CarbonylContact O-C 3.59Å; I29-C40 VanDerWaalsContact O-CA 3.28Å; I29-C40 WeakPolarHBondContact O-CA 3.45Å; C40-A52 CarbonylContact O-C 3.58Å; C40-I53 PolarHBondContact N-O 2.76Å; C40-I53 PolarHBondContact O-N 3.02Å
41S96.5Very high89.6Confident6 Ų650.2 Ų50.24%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-76.3148.7158.968.60000109.1L28 I29 V51L28-S41 CarbonylContact C-O 3.55Å; L28-S41 VanDerWaalsContact CA-O 3.27Å; L28-S41 WeakPolarHBondContact CA-O 3.4Å; I29-S41 PolarHBondContact N-O 3.45Å; I29-S41 PolarHBondContact O-N 3.27Å; I29-S41 PolarHBondContact O-OG 3.16Å; S41-V51 CarbonylContact C-O 3.1Å; S41-V51 VanDerWaalsContact CA-O 3.24Å; S41-V51 WeakPolarHBondContact CA-O 3.27Å
42A97.7Very high89.9Confident0 Ų047.8 Ų47.80%029%0.286CS..EExtended strand (participates in β ladder)trans-145.4154.4174.900000109.9R26 L28 R50 V51 I53R26-A42 CarbonylContact O-C 3.58Å; R26-A42 WeakPolarHBondContact O-CA 3.11Å; R26-A42 WeakPolarHBondContact O-CB 3.43Å; L28-A42 HydrophobicContact CD1-CB 3.71Å; L28-A42 HydrophobicContact CG-CB 4.23Å; A42-R50 WeakPolarHBondContact O-CA 2.79Å; A42-V51 HydrophobicContact CB-CG2 4.16Å; A42-V51 PolarHBondContact N-O 2.63Å; A42-V51 PolarHBondContact O-N 3.23Å; A42-I53 HydrophobicContact CB-CD1 3.68Å; A42-I53 HydrophobicContact CB-CG1 4.24Å
43L97.6Very high90.5Very high62 Ų6246.5 Ų46.533%0.32527%0.273SS..EExtended strand (participates in β ladder)trans-85122.3167.7-17865.5000109Y25 R26 S45 G48Y25-L43 WeakPolarHBondContact CA-O 3.23Å; R26-L43 PolarHBondContact N-O 3.36Å; R26-L43 PolarHBondContact O-N 3.42Å; L43-S45 PolarHBondContact O-N 3.08Å; L43-G48 WeakPolarHBondContact CD1-O 3.46Å
44D96.8Very high91.2Very high6 Ų643.3 Ų43.33%0.03225%0.251CS..EExtended strand (participates in β ladder)trans-82.3106.5170.4-178-11.7000109.8R24 Y25 R46 T47 G48 T49 V51R24-D44 VanDerWaalsContact CG-OD1 3.29Å; R24-D44 WeakPolarHBondContact CG-OD1 3.34Å; R24-D44 IonicContact CZ-OD1 2.71Å; R24-D44 IonicContact CZ-OD2 3.51Å; R24-D44 IonicContact NE-OD1 2.78Å; R24-D44 PolarHBondContact NE-OD1 3.32Å; R24-D44 IonicContact NE-OD2 3.33Å; R24-D44 PolarHBondContact NE-OD2 3.29Å; R24-D44 IonicContact NH2-OD1 3.76Å; R24-D44 PolarHBondContact NH2-OD1 2.85Å; R24-D44 IonicContact NH2-OD2 2.86Å; R24-D44 PolarHBondContact NH2-OD2 3.26Å; Y25-D44 HydrophobicContact CD1-CB 4.19Å; Y25-D44 HydrophobicContact CE1-CB 4.15Å; D44-R46 PolarHBondContact O-N 3.23Å; D44-R46 VanDerWaalsContact O-N 3.12Å; D44-R46 WeakPolarHBondContact OD1-CB 3.47Å; D44-R46 PolarHBondContact OD1-N 3.04Å; D44-T47 WeakPolarHBondContact CB-OG1 3.27Å; D44-T47 VanDerWaalsContact CG-OG1 3.29Å; D44-T47 PolarHBondContact O-N 3.42Å; D44-T47 PolarHBondContact OD2-OG1 3.38Å; D44-G48 WeakPolarHBondContact O-CA 3.36Å; D44-G48 PolarHBondContact O-N 3.03Å; D44-T49 WeakPolarHBondContact CB-O 3.48Å; D44-T49 PolarHBondContact N-O 2.86Å; D44-V51 HydrophobicContact CB-CG1 4.13Å; D44-V51 HydrophobicContact CB-CG2 4.47Å
45S95.4Very high92.2Very high62 Ų6242.2 Ų42.243%0.43423%0.233SC..THydrogen-bonded Turntrans-64.1-14.1-179.255.60000115.1R24 L43R24-S45 WeakPolarHBondContact CA-OG 3.35Å; R24-S45 WeakPolarHBondContact O-CB 3.37Å; R24-S45 PolarHBondContact O-N 2.89Å; R24-S45 PolarHBondContact O-OG 3.45Å; L43-S45 PolarHBondContact O-N 3.08Å
46R92.3Very high93.3Very high176 Ų17638.6 Ų38.666%0.66420%0.203SC*.THydrogen-bonded Turntrans-83.9-36.8175.9-67.7-170.7-176.2-161.9-5.6112.8R24 D44R24-R46 HydrophobicContact CG-CG 4.08Å; D44-R46 PolarHBondContact O-N 3.23Å; D44-R46 VanDerWaalsContact O-N 3.12Å; D44-R46 WeakPolarHBondContact OD1-CB 3.47Å; D44-R46 PolarHBondContact OD1-N 3.04Å
47T91.6Very high94Very high63 Ų6338.7 Ų38.739%0.38720%0.203SC..THydrogen-bonded Turntrans-104.9-16.1-175.457.70000112.5D44 T49D44-T47 WeakPolarHBondContact CB-OG1 3.27Å; D44-T47 VanDerWaalsContact CG-OG1 3.29Å; D44-T47 PolarHBondContact O-N 3.42Å; D44-T47 PolarHBondContact OD2-OG1 3.38Å; T47-T49 PolarHBondContact O-N 2.85Å; T47-T49 PolarHBondContact OG1-N 3.2Å; T47-T49 PolarHBondContact OG1-OG1 3.16Å
48G93.1Very high94.2Very high55 Ų5547.8 Ų47.857%0.56724%0.236SC*.  trans71.82.8-171.400000113.8L43 D44L43-G48 WeakPolarHBondContact CD1-O 3.46Å; D44-G48 WeakPolarHBondContact O-CA 3.36Å; D44-G48 PolarHBondContact O-N 3.03Å
49T93.5Very high94.3Very high70 Ų7047.9 Ų47.943%0.42924%0.237SC..  trans-97.5154.3-174.659.80000112.1D44 T47D44-T49 WeakPolarHBondContact CB-O 3.48Å; D44-T49 PolarHBondContact N-O 2.86Å; T47-T49 PolarHBondContact O-N 2.85Å; T47-T49 PolarHBondContact OG1-N 3.2Å; T47-T49 PolarHBondContact OG1-OG1 3.16Å
50R95.6Very high94.3Very high128 Ų12847.2 Ų47.248%0.48323%0.231SC..EExtended strand (participates in β ladder)trans-78.3136.6171.4-74.3-173.6179.3-84.7-3110.5A42 F109A42-R50 WeakPolarHBondContact O-CA 2.79Å; R50-F109 HydrophobicContact CB-CB 4.11Å; R50-F109 HydrophobicContact CB-CD1 4.1Å; R50-F109 HydrophobicContact CB-CG 4.29Å; R50-F109 WeakPolarHBondContact O-CB 3.41Å
51V96.9Very high94.1Very high1 Ų152 Ų521%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-124.6155.6176.2-62.20000110.7Y25 S41 A42 D44 I53 L88 V106Y25-V51 HydrophobicContact CD1-CG2 3.8Å; Y25-V51 HydrophobicContact CE1-CG2 3.99Å; S41-V51 CarbonylContact C-O 3.1Å; S41-V51 VanDerWaalsContact CA-O 3.24Å; S41-V51 WeakPolarHBondContact CA-O 3.27Å; A42-V51 HydrophobicContact CB-CG2 4.16Å; A42-V51 PolarHBondContact N-O 2.63Å; A42-V51 PolarHBondContact O-N 3.23Å; D44-V51 HydrophobicContact CB-CG1 4.13Å; D44-V51 HydrophobicContact CB-CG2 4.47Å; V51-I53 HydrophobicContact CG2-CD1 4.41Å; V51-I53 HydrophobicContact CG2-CG1 4.13Å; V51-L88 HydrophobicContact CG1-CD1 3.93Å; V51-V106 HydrophobicContact CB-CG1 3.76Å; V51-V106 HydrophobicContact CG1-CG1 4.17Å; V51-V106 HydrophobicContact CG2-CG1 3.82Å
52A96.6Very high93.9Very high10 Ų1053.9 Ų53.98%0.08327%0.267CS..EExtended strand (participates in β ladder)trans-100.3124170.100000109.4V39 C40 V106 M107 F109V39-A52 HydrophobicContact CG1-CB 4.08Å; C40-A52 CarbonylContact O-C 3.58Å; A52-V106 CarbonylContact O-C 3.53Å; A52-V106 WeakPolarHBondContact O-CA 3.27Å; A52-M107 PolarHBondContact N-O 3.49Å; A52-M107 PolarHBondContact O-N 2.71Å; A52-F109 HydrophobicContact CB-CD2 4.33Å
53I96.8Very high93.6Very high0 Ų058.8 Ų58.80%029%0.29CS..EExtended strand (participates in β ladder)trans-110.6111.5178.1-50.6-176.3000108.6W19 Y25 V39 C40 A42 V51 F91 C104 L105 V106W19-I53 WeakPolarHBondContact CH2-O 3.45Å; W19-I53 HydrophobicContact CZ3-CB 4.35Å; W19-I53 HydrophobicContact CZ3-CG2 3.96Å; Y25-I53 HydrophobicContact CD1-CD1 4.07Å; Y25-I53 HydrophobicContact CD2-CD1 3.99Å; Y25-I53 HydrophobicContact CG-CD1 3.62Å; V39-I53 WeakPolarHBondContact CA-O 3.26Å; C40-I53 PolarHBondContact N-O 2.76Å; C40-I53 PolarHBondContact O-N 3.02Å; A42-I53 HydrophobicContact CB-CD1 3.68Å; A42-I53 HydrophobicContact CB-CG1 4.24Å; V51-I53 HydrophobicContact CG2-CD1 4.41Å; V51-I53 HydrophobicContact CG2-CG1 4.13Å; I53-F91 HydrophobicContact CG2-CE1 4.18Å; I53-F91 HydrophobicContact CG2-CZ 3.93Å; I53-C104 HydrophobicContact CG2-CB 3.85Å; I53-L105 CarbonylContact C-O 3.54Å; I53-L105 WeakPolarHBondContact CA-O 3.48Å; I53-V106 HydrophobicContact CG1-CG1 4.38Å; I53-V106 HydrophobicContact CG1-CG2 4.22Å; I53-V106 HydrophobicContact CG2-CG2 4.41Å
54K94.9Very high93.1Very high24 Ų2461.1 Ų61.110%0.10431%0.306CS..EExtended strand (participates in β ladder)trans-95.1112.7174.6-176.7179.3-179.6-1750109.6T38 V39 L56 E72 C104 L105 M107T38-K54 CarbonylContact O-C 3.54Å; T38-K54 WeakPolarHBondContact O-CA 3.27Å; V39-K54 HydrophobicContact CG2-CB 4.07Å; V39-K54 HydrophobicContact CG2-CG 4.04Å; K54-L56 HydrophobicContact CD-CD2 4.33Å; K54-L56 HydrophobicContact CG-CD2 4.42Å; K54-E72 IonicContact NZ-OE1 3.85Å; K54-E72 PolarHBondContact NZ-OE1 3.13Å; K54-E72 IonicContact NZ-OE2 3.12Å; K54-E72 PolarHBondContact NZ-OE2 2.9Å; K54-C104 CarbonylContact O-C 3.58Å; K54-C104 VanDerWaalsContact O-CA 3.27Å; K54-C104 WeakPolarHBondContact O-CA 3.37Å; K54-L105 HydrophobicContact CB-CB 4.42Å; K54-L105 PolarHBondContact N-O 3.43Å; K54-L105 PolarHBondContact O-N 3.23Å; K54-M107 HydrophobicContact CB-CE 3.76Å
55K94.9Very high92.7Very high23 Ų2363.8 Ų63.810%0.132%0.318CS..EExtended strand (participates in β ladder)trans-87.3123168.6-178179.3-174-168.90109.5V18 W19 G37 T38 D102V18-K55 PolarHBondContact O-NZ 3.2Å; W19-K55 HydrophobicContact CD2-CB 4.44Å; W19-K55 HydrophobicContact CD2-CD 4.23Å; W19-K55 HydrophobicContact CE3-CB 4.05Å; W19-K55 HydrophobicContact CE3-CD 4.42Å; W19-K55 HydrophobicContact CH2-CB 3.42Å; W19-K55 VanDerWaalsContact CH2-CB 3.42Å; W19-K55 HydrophobicContact CZ2-CB 3.81Å; W19-K55 HydrophobicContact CZ3-CB 3.55Å; G37-K55 CarbonylContact C-O 3.55Å; G37-K55 WeakPolarHBondContact CA-O 3.19Å; T38-K55 PolarHBondContact N-O 3.4Å; T38-K55 PolarHBondContact O-N 3.31Å; K55-D102 WeakPolarHBondContact CE-OD2 3.36Å; K55-D102 IonicContact NZ-OD2 2.64Å; K55-D102 PolarHBondContact NZ-OD2 3.43Å
56L92.3Very high92.6Very high6 Ų660.9 Ų60.93%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-77.1139.7177.5-64.9-178.2000112.1Y36 K54 P59 A69 F103 L105Y36-L56 WeakPolarHBondContact O-CA 3.48Å; K54-L56 HydrophobicContact CD-CD2 4.33Å; K54-L56 HydrophobicContact CG-CD2 4.42Å; L56-P59 HydrophobicContact CB-CB 4.22Å; L56-P59 HydrophobicContact CB-CG 4.18Å; L56-P59 HydrophobicContact CD1-CB 4.31Å; L56-A69 HydrophobicContact CD1-CB 3.86Å; L56-F103 HydrophobicContact CD1-CD1 4.27Å; L56-F103 HydrophobicContact CD1-CD2 4.05Å; L56-F103 HydrophobicContact CD1-CE1 3.68Å; L56-F103 HydrophobicContact CD1-CE2 3.41Å; L56-F103 VanDerWaalsContact CD1-CE2 3.41Å; L56-F103 HydrophobicContact CD1-CG 4.45Å; L56-F103 HydrophobicContact CD1-CZ 3.23Å; L56-F103 HydrophobicContact CG-CE2 4.46Å; L56-F103 PolarHBondContact N-O 3.44Å; L56-L105 HydrophobicContact CD2-CD1 4.47Å
57Y86.9Confident92.5Very high78 Ų7855 Ų5531%0.30628%0.276SS..SBendtrans-92.5113.4179.3-73.5-20.3000111.9T33 Y36 T38 P59T33-Y57 HydrophobicContact CG2-CE2 4.3Å; Y36-Y57 PolarHBondContact O-N 3.05Å; T38-Y57 WeakPolarHBondContact CB-OH 3.33Å; T38-Y57 WeakPolarHBondContact OG1-CE2 3.35Å; T38-Y57 PolarHBondContact OG1-OH 3.46Å; Y57-P59 VanDerWaalsContact C-N 3.3Å
58R88.8Confident92.3Very high193 Ų19353.4 Ų53.473%0.72826%0.263SS*.SBendtrans41.155.3177.9-57.5-178.4-176.7166.50.7111.7F60 Q61R58-F60 PolarHBondContact O-N 2.93Å; R58-Q61 HydrophobicContact CB-CB 4.14Å; R58-Q61 WeakPolarHBondContact O-CB 3.3Å; R58-Q61 WeakPolarHBondContact O-CG 3.26Å; R58-Q61 PolarHBondContact O-N 3.04Å; R58-Q61 VanDerWaalsContact O-N 3.09Å
59P92.2Very high92.3Very high3 Ų351 Ų512%0.01924%0.238CC..THydrogen-bonded Turntrans-59.5-21.5-174.324.9-34.4000112.7L56 Y57 F65 A66 A69 K101 D102 F103L56-P59 HydrophobicContact CB-CB 4.22Å; L56-P59 HydrophobicContact CB-CG 4.18Å; L56-P59 HydrophobicContact CD1-CB 4.31Å; Y57-P59 VanDerWaalsContact C-N 3.3Å; P59-F65 CarbonylContact O-C 3.09Å; P59-F65 WeakPolarHBondContact O-CB 3.36Å; P59-A66 WeakPolarHBondContact O-CA 3.46Å; P59-A66 PolarHBondContact O-N 2.68Å; P59-A69 HydrophobicContact CB-CB 3.62Å; P59-K101 WeakPolarHBondContact CD-O 3.4Å; P59-D102 HydrophobicContact CG-CB 4.36Å; P59-F103 HydrophobicContact CB-CE1 4.3Å; P59-F103 HydrophobicContact CG-CD1 4.37Å; P59-F103 HydrophobicContact CG-CE1 4.28Å
60F94.1Very high92.2Very high26 Ų2648 Ų4811%0.11422%0.219CC..THydrogen-bonded Turntrans-106.331.4180-45.9-59.5000113.3R58 A66 F100 K101 F103 L335 K339 A342R58-F60 PolarHBondContact O-N 2.93Å; F60-A66 HydrophobicContact CD1-CB 3.96Å; F60-F100 HydrophobicContact CE1-CE1 4.15Å; F60-F100 AromaticContact CE2-CD1 3.7Å; F60-F100 HydrophobicContact CE2-CD1 3.7Å; F60-F100 HydrophobicContact CE2-CD2 4.25Å; F60-F100 AromaticContact CE2-CE1 3.45Å; F60-F100 HydrophobicContact CE2-CE1 3.45Å; F60-F100 VanDerWaalsContact CE2-CE1 3.45Å; F60-F100 HydrophobicContact CE2-CE2 4.02Å; F60-F100 HydrophobicContact CE2-CG 4.1Å; F60-F100 AromaticContact CE2-CZ 3.62Å; F60-F100 HydrophobicContact CE2-CZ 3.62Å; F60-F100 AromaticContact CZ-CD1 3.84Å; F60-F100 HydrophobicContact CZ-CD1 3.84Å; F60-F100 AromaticContact CZ-CE1 3.16Å; F60-F100 HydrophobicContact CZ-CE1 3.16Å; F60-F100 HydrophobicContact CZ-CE2 4.25Å; F60-F100 AromaticContact CZ-CZ 3.4Å; F60-F100 HydrophobicContact CZ-CZ 3.4Å; F60-F100 VanDerWaalsContact CZ-CZ 3.4Å; F60-K101 VanDerWaalsContact CD2-O 3.31Å; F60-K101 WeakPolarHBondContact CD2-O 3.13Å; F60-F103 HydrophobicContact CZ-CD1 4.06Å; F60-F103 AromaticContact CZ-CE1 3.92Å; F60-F103 HydrophobicContact CZ-CE1 3.92Å; F60-L335 HydrophobicContact CB-CD1 4.11Å; F60-L335 WeakPolarHBondContact O-CD2 3.14Å; F60-K339 HydrophobicContact CD1-CB 4.1Å; F60-K339 HydrophobicContact CD1-CG 4.23Å; F60-K339 HydrophobicContact CD2-CD 4.49Å; F60-K339 HydrophobicContact CD2-CG 4.31Å; F60-K339 HydrophobicContact CE1-CB 4.28Å; F60-K339 HydrophobicContact CE1-CG 4.3Å; F60-K339 HydrophobicContact CE2-CG 4.37Å; F60-K339 HydrophobicContact CG-CB 4.49Å; F60-K339 HydrophobicContact CG-CD 4.46Å; F60-K339 HydrophobicContact CG-CG 4.26Å; F60-K339 HydrophobicContact CZ-CG 4.39Å; F60-A342 HydrophobicContact CE1-CB 4.29Å; F60-A342 HydrophobicContact CZ-CB 4.35Å
61Q91.8Very high92Very high101 Ų10143.5 Ų43.547%0.47220%0.202SC..SBendtrans-79.1-23.8176.368.6-179.44.700113.9R58 F65R58-Q61 HydrophobicContact CB-CB 4.14Å; R58-Q61 WeakPolarHBondContact O-CB 3.3Å; R58-Q61 WeakPolarHBondContact O-CG 3.26Å; R58-Q61 PolarHBondContact O-N 3.04Å; R58-Q61 VanDerWaalsContact O-N 3.09Å; Q61-F65 HydrophobicContact CG-CB 4.03Å; Q61-F65 HydrophobicContact CG-CD1 4.11Å; Q61-F65 HydrophobicContact CG-CD2 4.16Å; Q61-F65 HydrophobicContact CG-CG 3.83Å; Q61-F65 VanDerWaalsContact NE2-CD1 3.26Å; Q61-F65 VanDerWaalsContact NE2-CE2 3.33Å
62S91.8Very high91.7Very high45 Ų4543.8 Ų43.832%0.31520%0.203SC..SBendtrans-156.9163.5174.769.60000109.9V64 F65 A66S62-V64 VanDerWaalsContact C-N 3.26Å; S62-V64 PolarHBondContact O-N 2.82Å; S62-F65 PolarHBondContact O-N 2.99Å; S62-F65 VanDerWaalsContact O-N 3.15Å; S62-F65 WeakPolarHBondContact OG-CD2 3.38Å; S62-F65 PolarHBondContact OG-N 2.65Å; S62-A66 WeakPolarHBondContact O-CB 3.47Å; S62-A66 PolarHBondContact O-N 2.97Å
63E91.7Very high91.5Very high103 Ų10343.3 Ų43.348%0.48120%0.2SC..Hα-helixtrans-59.5-37.9179.9-67.9173.9175.900112.2F65 A66 K67 T334 L335E63-F65 PolarHBondContact O-N 3.33Å; E63-A66 PolarHBondContact O-N 3.11Å; E63-K67 VanDerWaalsContact O-CB 3.26Å; E63-K67 WeakPolarHBondContact O-CB 3.4Å; E63-K67 PolarHBondContact O-N 2.86Å; E63-T334 WeakPolarHBondContact OE1-CA 3.31Å; E63-L335 HydrophobicContact CG-CB 4.3Å
64V87.6Confident91.3Very high111 Ų11145.1 Ų45.167%0.67321%0.207SC*.Hα-helixtrans-61.5-44.7175.9179.90000111.5S62 R68S62-V64 VanDerWaalsContact C-N 3.26Å; S62-V64 PolarHBondContact O-N 2.82Å; V64-R68 VanDerWaalsContact O-CB 3.32Å; V64-R68 WeakPolarHBondContact O-CB 3.39Å; V64-R68 PolarHBondContact O-N 3.17Å; V64-R68 VanDerWaalsContact O-N 3.09Å
65F88.4Confident91.1Very high62 Ų6244.1 Ų44.127%0.27220%0.203SC..Hα-helixtrans-68.7-39177.7-85.7-108.9000111.5Y36 P59 Q61 S62 E63 R68 A69Y36-F65 AromaticContact CD1-CE1 3.97Å; Y36-F65 HydrophobicContact CD1-CE1 3.97Å; Y36-F65 HydrophobicContact CE1-CE1 4.1Å; Y36-F65 HydrophobicContact CE1-CZ 4.28Å; P59-F65 CarbonylContact O-C 3.09Å; P59-F65 WeakPolarHBondContact O-CB 3.36Å; Q61-F65 HydrophobicContact CG-CB 4.03Å; Q61-F65 HydrophobicContact CG-CD1 4.11Å; Q61-F65 HydrophobicContact CG-CD2 4.16Å; Q61-F65 HydrophobicContact CG-CG 3.83Å; Q61-F65 VanDerWaalsContact NE2-CD1 3.26Å; Q61-F65 VanDerWaalsContact NE2-CE2 3.33Å; S62-F65 PolarHBondContact O-N 2.99Å; S62-F65 VanDerWaalsContact O-N 3.15Å; S62-F65 WeakPolarHBondContact OG-CD2 3.38Å; S62-F65 PolarHBondContact OG-N 2.65Å; E63-F65 PolarHBondContact O-N 3.33Å; F65-R68 PolarHBondContact O-N 3.35Å; F65-A69 WeakPolarHBondContact O-CB 3.43Å; F65-A69 PolarHBondContact O-N 3.06Å
66A92.6Very high91.1Very high0 Ų043.2 Ų43.20%020%0.199CC..Hα-helixtrans-68.8-45.7-178.600000111.7P59 F60 S62 E63 R68 A69 F70 L335 W338P59-A66 WeakPolarHBondContact O-CA 3.46Å; P59-A66 PolarHBondContact O-N 2.68Å; F60-A66 HydrophobicContact CD1-CB 3.96Å; S62-A66 WeakPolarHBondContact O-CB 3.47Å; S62-A66 PolarHBondContact O-N 2.97Å; E63-A66 PolarHBondContact O-N 3.11Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 2.98Å; A66-A69 PolarHBondContact O-N 3.44Å; A66-F70 WeakPolarHBondContact O-CB 3.37Å; A66-F70 PolarHBondContact O-N 3.15Å; A66-L335 HydrophobicContact CB-CD1 3.71Å; A66-W338 HydrophobicContact CB-CB 3.64Å; A66-W338 HydrophobicContact CB-CG 4.11Å
67K90.8Very high91Very high52 Ų5246.1 Ų46.123%0.22621%0.212CC..Hα-helixtrans-57.6-45.6172.9-176.4172-175.9172.80111.2E63 F70 R71 E329 W338E63-K67 VanDerWaalsContact O-CB 3.26Å; E63-K67 WeakPolarHBondContact O-CB 3.4Å; E63-K67 PolarHBondContact O-N 2.86Å; K67-F70 PolarHBondContact O-N 3.05Å; K67-R71 WeakPolarHBondContact O-CB 3.1Å; K67-R71 PolarHBondContact O-N 2.97Å; K67-E329 VanDerWaalsContact CE-O 3.28Å; K67-E329 WeakPolarHBondContact CE-O 3.37Å; K67-E329 PolarHBondContact NZ-O 3.27Å; K67-W338 HydrophobicContact CB-CD2 4.17Å; K67-W338 HydrophobicContact CB-CZ2 3.94Å; K67-W338 HydrophobicContact CD-CH2 4.37Å; K67-W338 HydrophobicContact CD-CZ2 3.74Å; K67-W338 HydrophobicContact CG-CH2 3.95Å; K67-W338 HydrophobicContact CG-CZ2 3.61Å
68R88.3Confident91.3Very high30 Ų3044.5 Ų44.511%0.11321%0.207CC..Hα-helixtrans-60.8-47.8176.5176.8172.2-178.2155.95112.6Y36 V64 F65 A66 F70 R71 E72 G171Y36-R68 VanDerWaalsContact CD2-NH2 3.29Å; Y36-R68 VanDerWaalsContact CE1-NH1 3.29Å; Y36-R68 VanDerWaalsContact CE2-NH1 3.3Å; Y36-R68 PolarHBondContact OH-NH1 3.13Å; V64-R68 VanDerWaalsContact O-CB 3.32Å; V64-R68 WeakPolarHBondContact O-CB 3.39Å; V64-R68 PolarHBondContact O-N 3.17Å; V64-R68 VanDerWaalsContact O-N 3.09Å; F65-R68 PolarHBondContact O-N 3.35Å; A66-R68 VanDerWaalsContact C-N 3.33Å; A66-R68 PolarHBondContact O-N 2.98Å; R68-F70 VanDerWaalsContact C-N 3.32Å; R68-F70 PolarHBondContact O-N 3.43Å; R68-R71 PolarHBondContact O-N 2.86Å; R68-E72 WeakPolarHBondContact O-CB 3.4Å; R68-E72 PolarHBondContact O-N 3.05Å; R68-G171 WeakPolarHBondContact CG-O 3.32Å; R68-G171 PolarHBondContact NE-O 3.33Å
69A91.1Very high91.5Very high5 Ų535.5 Ų35.54%0.04117%0.173CC..Hα-helixtrans-62.8-40.8179.700000111.7L56 P59 F65 A66 L73 F103L56-A69 HydrophobicContact CD1-CB 3.86Å; P59-A69 HydrophobicContact CB-CB 3.62Å; F65-A69 WeakPolarHBondContact O-CB 3.43Å; F65-A69 PolarHBondContact O-N 3.06Å; A66-A69 PolarHBondContact O-N 3.44Å; A69-L73 PolarHBondContact O-N 2.84Å; A69-L73 VanDerWaalsContact O-N 3.11Å; A69-F103 HydrophobicContact CB-CE1 4.13Å; A69-F103 HydrophobicContact CB-CZ 3.96Å
70F92.6Very high91.6Very high8 Ų841.7 Ų41.74%0.03520%0.2CC..Hα-helixtrans-63.8-46.1174.2177.4-103.1000112.1A66 K67 R68 E72 L73 K74 H328 W338 C341 A342 E345A66-F70 WeakPolarHBondContact O-CB 3.37Å; A66-F70 PolarHBondContact O-N 3.15Å; K67-F70 PolarHBondContact O-N 3.05Å; R68-F70 VanDerWaalsContact C-N 3.32Å; R68-F70 PolarHBondContact O-N 3.43Å; F70-E72 VanDerWaalsContact C-N 3.35Å; F70-E72 PolarHBondContact O-N 2.74Å; F70-L73 WeakPolarHBondContact O-CB 3.33Å; F70-L73 PolarHBondContact O-N 3.43Å; F70-K74 HydrophobicContact CD1-CG 4.14Å; F70-K74 HydrophobicContact CD2-CG 4.38Å; F70-K74 HydrophobicContact CE1-CD 4.27Å; F70-K74 HydrophobicContact CE1-CG 3.67Å; F70-K74 HydrophobicContact CE2-CD 4.13Å; F70-K74 HydrophobicContact CE2-CG 3.94Å; F70-K74 HydrophobicContact CG-CG 4.49Å; F70-K74 HydrophobicContact CZ-CD 3.73Å; F70-K74 HydrophobicContact CZ-CG 3.57Å; F70-K74 WeakPolarHBondContact O-CG 3.34Å; F70-K74 PolarHBondContact O-N 3.48Å; F70-H328 HydrophobicContact CE1-CB 4.02Å; F70-H328 AromaticContact CE1-CG 3.9Å; F70-W338 HydrophobicContact CB-CE3 4.07Å; F70-W338 HydrophobicContact CB-CZ3 4.43Å; F70-W338 AromaticContact CD1-CE3 3.84Å; F70-W338 HydrophobicContact CD1-CE3 3.84Å; F70-W338 HydrophobicContact CD1-CH2 4.48Å; F70-W338 AromaticContact CD1-CZ3 3.4Å; F70-W338 HydrophobicContact CD1-CZ3 3.4Å; F70-W338 VanDerWaalsContact CD1-CZ3 3.4Å; F70-W338 HydrophobicContact CE1-CE3 4.49Å; F70-W338 AromaticContact CE1-CZ3 3.83Å; F70-W338 HydrophobicContact CE1-CZ3 3.83Å; F70-W338 AromaticContact CG-CE3 3.98Å; F70-W338 HydrophobicContact CG-CE3 3.98Å; F70-W338 HydrophobicContact CG-CZ3 4.04Å; F70-C341 HydrophobicContact CD2-CB 3.84Å; F70-C341 HydrophobicContact CE2-CB 3.51Å; F70-C341 HydrophobicContact CZ-CB 3.97Å; F70-A342 HydrophobicContact CD2-CB 4.18Å; F70-E345 HydrophobicContact CD2-CG 4.49Å; F70-E345 HydrophobicContact CE2-CG 3.6Å; F70-E345 HydrophobicContact CZ-CG 4.28Å
71R90.3Very high91.7Very high32 Ų3241.3 Ų41.312%0.12120%0.198CC..Hα-helixtrans-59.6-45.8177.4-168.1-170.4-59.4132.9-0.1111.5K67 R68 L73 K74 L75 A173 E329K67-R71 WeakPolarHBondContact O-CB 3.1Å; K67-R71 PolarHBondContact O-N 2.97Å; R68-R71 PolarHBondContact O-N 2.86Å; R71-L73 VanDerWaalsContact C-N 3.33Å; R71-L73 PolarHBondContact O-N 3.03Å; R71-K74 PolarHBondContact O-N 3.02Å; R71-L75 HydrophobicContact CG-CD1 3.73Å; R71-L75 HydrophobicContact CG-CG 4.29Å; R71-L75 WeakPolarHBondContact O-CB 3.03Å; R71-L75 WeakPolarHBondContact O-CG 3.49Å; R71-L75 PolarHBondContact O-N 2.95Å; R71-A173 WeakPolarHBondContact CD-O 3.35Å; R71-E329 IonicContact CZ-OE1 2.87Å; R71-E329 IonicContact CZ-OE2 2.76Å; R71-E329 IonicContact NE-OE1 3.87Å; R71-E329 PolarHBondContact NE-OE1 3.16Å; R71-E329 VanDerWaalsContact NE-OE1 3.12Å; R71-E329 IonicContact NE-OE2 3.2Å; R71-E329 PolarHBondContact NE-OE2 3.45Å; R71-E329 IonicContact NH2-OE1 2.76Å; R71-E329 PolarHBondContact NH2-OE1 3.34Å; R71-E329 IonicContact NH2-OE2 2.66Å; R71-E329 PolarHBondContact NH2-OE2 2.8Å
72E91.1Very high91.9Very high7 Ų740.5 Ų40.53%0.03320%0.195CC..Hα-helixtrans-58.1-45.6176.6-176173.2-171.800111.3K54 R68 F70 L76 L105K54-E72 IonicContact NZ-OE1 3.85Å; K54-E72 PolarHBondContact NZ-OE1 3.13Å; K54-E72 IonicContact NZ-OE2 3.12Å; K54-E72 PolarHBondContact NZ-OE2 2.9Å; R68-E72 WeakPolarHBondContact O-CB 3.4Å; R68-E72 PolarHBondContact O-N 3.05Å; F70-E72 VanDerWaalsContact C-N 3.35Å; F70-E72 PolarHBondContact O-N 2.74Å; E72-L76 HydrophobicContact CG-CD1 3.9Å; E72-L76 HydrophobicContact CG-CG 4.45Å; E72-L76 WeakPolarHBondContact O-CB 3.35Å; E72-L76 VanDerWaalsContact O-CG 3.24Å; E72-L76 WeakPolarHBondContact O-CG 3.33Å; E72-L76 PolarHBondContact O-N 3.31Å; E72-L105 HydrophobicContact CG-CD1 4.2Å
73L93.3Very high92.2Very high1 Ų138.5 Ų38.51%0.00518%0.18CC..Hα-helixtrans-60.3-47.9175.8174.460000112.4A69 F70 R71 K77 L87 V90 F103 L105 E345 I346A69-L73 PolarHBondContact O-N 2.84Å; A69-L73 VanDerWaalsContact O-N 3.11Å; F70-L73 WeakPolarHBondContact O-CB 3.33Å; F70-L73 PolarHBondContact O-N 3.43Å; R71-L73 VanDerWaalsContact C-N 3.33Å; R71-L73 PolarHBondContact O-N 3.03Å; L73-K77 WeakPolarHBondContact O-CB 3.4Å; L73-K77 PolarHBondContact O-N 3.41Å; L73-L87 HydrophobicContact CD1-CD2 3.69Å; L73-V90 HydrophobicContact CD1-CB 4.28Å; L73-V90 HydrophobicContact CD1-CG1 4.3Å; L73-V90 HydrophobicContact CD1-CG2 3.92Å; L73-F103 HydrophobicContact CB-CE2 4.28Å; L73-F103 HydrophobicContact CD2-CE2 4.39Å; L73-L105 HydrophobicContact CD1-CD2 3.8Å; L73-E345 HydrophobicContact CD2-CB 3.76Å; L73-E345 HydrophobicContact CG-CB 4.45Å; L73-I346 HydrophobicContact CD2-CG1 3.84Å
74K92Very high92.4Very high38 Ų3833.7 Ų33.717%0.16516%0.158CC..Hα-helixtrans-62.4-44.8-179.8-72.8-75.7-77.9-173.10111.8F70 R71 K77 H78 Y324 E345F70-K74 HydrophobicContact CD1-CG 4.14Å; F70-K74 HydrophobicContact CD2-CG 4.38Å; F70-K74 HydrophobicContact CE1-CD 4.27Å; F70-K74 HydrophobicContact CE1-CG 3.67Å; F70-K74 HydrophobicContact CE2-CD 4.13Å; F70-K74 HydrophobicContact CE2-CG 3.94Å; F70-K74 HydrophobicContact CG-CG 4.49Å; F70-K74 HydrophobicContact CZ-CD 3.73Å; F70-K74 HydrophobicContact CZ-CG 3.57Å; F70-K74 WeakPolarHBondContact O-CG 3.34Å; F70-K74 PolarHBondContact O-N 3.48Å; R71-K74 PolarHBondContact O-N 3.02Å; K74-K77 PolarHBondContact O-N 2.89Å; K74-H78 WeakPolarHBondContact O-CB 3.4Å; K74-H78 PolarHBondContact O-N 3.12Å; K74-Y324 HydrophobicContact CB-CE2 4.31Å; K74-E345 HydrophobicContact CD-CG 3.89Å; K74-E345 VanDerWaalsContact CD-OE1 3.26Å; K74-E345 WeakPolarHBondContact CD-OE1 2.87Å; K74-E345 IonicContact NZ-OE1 3.82Å; K74-E345 PolarHBondContact NZ-OE1 2.75Å
75L91.6Very high92.8Very high2 Ų228.6 Ų28.61%0.0113%0.127CC..Hα-helixtrans-64.8-47.9179.4-72.7172.8000111.2R71 K77 H78 M79 I147 F170 A173 Y324R71-L75 HydrophobicContact CG-CD1 3.73Å; R71-L75 HydrophobicContact CG-CG 4.29Å; R71-L75 WeakPolarHBondContact O-CB 3.03Å; R71-L75 WeakPolarHBondContact O-CG 3.49Å; R71-L75 PolarHBondContact O-N 2.95Å; L75-K77 PolarHBondContact O-N 3.18Å; L75-H78 PolarHBondContact O-N 3.12Å; L75-M79 HydrophobicContact CD2-CE 4.13Å; L75-M79 VanDerWaalsContact O-CG 3.27Å; L75-M79 WeakPolarHBondContact O-CG 3.42Å; L75-M79 PolarHBondContact O-N 3.06Å; L75-I147 HydrophobicContact CD2-CD1 3.3Å; L75-I147 HydrophobicContact CD2-CG1 4.13Å; L75-F170 HydrophobicContact CB-CB 3.97Å; L75-F170 HydrophobicContact CB-CG 4.18Å; L75-F170 HydrophobicContact CD1-CB 3.62Å; L75-F170 HydrophobicContact CD1-CG 4.31Å; L75-F170 HydrophobicContact CG-CB 4.41Å; L75-A173 HydrophobicContact CD1-CB 4.05Å; L75-Y324 HydrophobicContact CD2-CD1 4.38Å; L75-Y324 HydrophobicContact CD2-CD2 4.01Å; L75-Y324 HydrophobicContact CD2-CE1 4.02Å; L75-Y324 HydrophobicContact CD2-CE2 3.61Å; L75-Y324 HydrophobicContact CD2-CG 4.38Å; L75-Y324 HydrophobicContact CG-CE2 4.22Å
76L93.1Very high93Very high4 Ų426.4 Ų26.42%0.02112%0.122CC..Hα-helixtrans-61.2-31.8177.4-71.5171.9000113.2E72 I85 L87 L105 M107 F170E72-L76 HydrophobicContact CG-CD1 3.9Å; E72-L76 HydrophobicContact CG-CG 4.45Å; E72-L76 WeakPolarHBondContact O-CB 3.35Å; E72-L76 VanDerWaalsContact O-CG 3.24Å; E72-L76 WeakPolarHBondContact O-CG 3.33Å; E72-L76 PolarHBondContact O-N 3.31Å; L76-I85 HydrophobicContact CD2-CG2 3.61Å; L76-L87 HydrophobicContact CB-CB 4.04Å; L76-L87 HydrophobicContact CB-CD1 4.43Å; L76-L87 HydrophobicContact CD1-CD1 4.47Å; L76-L87 WeakPolarHBondContact O-CB 3.34Å; L76-L87 PolarHBondContact O-N 2.58Å; L76-L87 VanDerWaalsContact O-N 3.08Å; L76-L105 HydrophobicContact CD1-CD1 3.75Å; L76-L105 HydrophobicContact CD1-CD2 4.24Å; L76-L105 HydrophobicContact CD1-CG 4.41Å; L76-M107 HydrophobicContact CD1-SD 4.38Å; L76-M107 HydrophobicContact CD2-SD 4.42Å; L76-F170 HydrophobicContact CD2-CD2 4.3Å
77K92.2Very high93.1Very high67 Ų6727 Ų2729%0.29113%0.125SC..Hα-helixtrans-73.3-32.6174.8-177.5178171.6178.30112.4L73 K74 L75 L87 E345 F349L73-K77 WeakPolarHBondContact O-CB 3.4Å; L73-K77 PolarHBondContact O-N 3.41Å; K74-K77 PolarHBondContact O-N 2.89Å; L75-K77 PolarHBondContact O-N 3.18Å; K77-L87 HydrophobicContact CB-CD2 4.44Å; K77-E345 IonicContact NZ-OE2 3.48Å; K77-E345 PolarHBondContact NZ-OE2 2.88Å; K77-F349 HydrophobicContact CD-CD2 4.18Å; K77-F349 HydrophobicContact CG-CD2 4.24Å; K77-F349 HydrophobicContact CG-CE2 4.29Å
78H92.1Very high93.3Very high44 Ų4427.5 Ų27.520%0.20413%0.13CC..Hα-helixtrans-77.7-38.6-179.9-170.576.8000112.9K74 L75 K80 Q322 P323 Y324K74-H78 WeakPolarHBondContact O-CB 3.4Å; K74-H78 PolarHBondContact O-N 3.12Å; L75-H78 PolarHBondContact O-N 3.12Å; H78-K80 PolarHBondContact O-N 3.36Å; H78-Q322 PolarHBondContact CE1-O 3.3Å; H78-Q322 VanDerWaalsContact CE1-O 3.29Å; H78-Q322 PolarHBondContact NE2-O 3.22Å; H78-P323 PolarHBondContact CE1-O 2.68Å; H78-P323 VanDerWaalsContact CE1-O 3.28Å; H78-Y324 HydrophobicContact CB-CD2 4.02Å; H78-Y324 HydrophobicContact CB-CE2 4.4Å; H78-Y324 AromaticContact CD2-CD2 3.96Å; H78-Y324 AromaticContact CG-CD2 3.76Å
79M93.1Very high93.6Very high4 Ų426.2 Ų26.22%0.0213%0.125CC..  trans-72.1121.2-173.9-64.6-59.3160.300112L75 V84 Y141 I142 I147 F170L75-M79 HydrophobicContact CD2-CE 4.13Å; L75-M79 VanDerWaalsContact O-CG 3.27Å; L75-M79 WeakPolarHBondContact O-CG 3.42Å; L75-M79 PolarHBondContact O-N 3.06Å; M79-V84 HydrophobicContact CB-CG1 3.73Å; M79-V84 HydrophobicContact CG-CG1 3.82Å; M79-V84 HydrophobicContact SD-CG1 4.26Å; M79-Y141 HydrophobicContact SD-CD1 4Å; M79-Y141 HydrophobicContact SD-CE1 3.67Å; M79-I142 HydrophobicContact SD-CG1 4.33Å; M79-I147 HydrophobicContact CE-CD1 3.27Å; M79-F170 HydrophobicContact CE-CE1 4.44Å; M79-F170 HydrophobicContact CG-CE2 4.07Å; M79-F170 HydrophobicContact CG-CZ 4.01Å
80K94.2Very high93.9Very high133 Ų13326.4 Ų26.458%0.57813%0.126SC*.  trans-136.276.3178.7-65.2-177.7-177.6179.10109.4H78 Y141H78-K80 PolarHBondContact O-N 3.36Å; K80-Y141 PolarHBondContact N-OH 2.52Å; K80-Y141 PolarHBondContact O-OH 3.12Å
81H96.1Very high94Very high18 Ų1826.6 Ų26.68%0.08313%0.127CC..  trans-146.5146.6-177.8-174.8-90.1000110.2N83 V84 Y141 T319H81-N83 VanDerWaalsContact C-N 3.31Å; H81-N83 PolarHBondContact ND1-N 3.3Å; H81-N83 PolarHBondContact O-N 3.24Å; H81-V84 HydrophobicContact CB-CB 4.02Å; H81-V84 HydrophobicContact CB-CG2 3.95Å; H81-V84 PolarHBondContact O-N 2.81Å; H81-Y141 HydrophobicContact CB-CD1 3.69Å; H81-Y141 HydrophobicContact CB-CD2 3.86Å; H81-Y141 HydrophobicContact CB-CE1 3.94Å; H81-Y141 HydrophobicContact CB-CE2 4.07Å; H81-Y141 HydrophobicContact CB-CG 3.66Å; H81-Y141 AromaticContact CD2-CD2 3.47Å; H81-Y141 VanDerWaalsContact CD2-CD2 3.47Å; H81-Y141 WeakPolarHBondContact CD2-CD2 3.33Å; H81-Y141 AromaticContact CD2-CG 3.63Å; H81-Y141 AromaticContact CG-CD2 3.92Å; H81-Y141 AromaticContact CG-CG 3.73Å; H81-T319 PolarHBondContact CD2-OG1 3.37Å; H81-T319 VanDerWaalsContact CD2-OG1 3.24Å
82E96.1Very high94.2Very high85 Ų8525.5 Ų25.540%0.39712%0.124SC..THydrogen-bonded Turntrans-63-34.5-177.262.8179.2119.600113.1K137 K166E82-K137 WeakPolarHBondContact OE1-CE 3.48Å; E82-K137 IonicContact OE1-NZ 3.92Å; E82-K137 PolarHBondContact OE1-NZ 3.47Å; E82-K137 IonicContact OE2-NZ 2.65Å; E82-K137 PolarHBondContact OE2-NZ 3.06Å; E82-K166 WeakPolarHBondContact O-CG 3.49Å; E82-K166 PolarHBondContact O-NZ 3.3Å
83N97.9Very high94.3Very high3 Ų325.6 Ų25.62%0.01613%0.126CC..THydrogen-bonded Turntrans-98.614.5178.7-52.9120.8000114.6H81 Q134 K137 L165 K166 I167H81-N83 VanDerWaalsContact C-N 3.31Å; H81-N83 PolarHBondContact ND1-N 3.3Å; H81-N83 PolarHBondContact O-N 3.24Å; N83-Q134 VanDerWaalsContact CB-O 3.23Å; N83-Q134 WeakPolarHBondContact CB-O 3.4Å; N83-Q134 WeakPolarHBondContact ND2-CB 3.09Å; N83-Q134 PolarHBondContact ND2-OE1 3.31Å; N83-Q134 VanDerWaalsContact ND2-OE1 3.07Å; N83-Q134 PolarHBondContact OD1-O 3.18Å; N83-K137 WeakPolarHBondContact OD1-CE 3.19Å; N83-L165 VanDerWaalsContact CA-O 3.26Å; N83-L165 WeakPolarHBondContact CA-O 3.26Å; N83-L165 PolarHBondContact ND2-O 3.48Å; N83-K166 WeakPolarHBondContact O-CA 3.47Å; N83-I167 WeakPolarHBondContact O-CG1 2.99Å; N83-I167 PolarHBondContact O-N 3.25Å
84V97Very high94.1Very high2 Ų225.8 Ų25.81%0.01213%0.127CC..BIsolated β-bridgetrans-125.3134.6175.6-1770000108.9M79 H81 G86 Y141 I142 F170M79-V84 HydrophobicContact CB-CG1 3.73Å; M79-V84 HydrophobicContact CG-CG1 3.82Å; M79-V84 HydrophobicContact SD-CG1 4.26Å; H81-V84 HydrophobicContact CB-CB 4.02Å; H81-V84 HydrophobicContact CB-CG2 3.95Å; H81-V84 PolarHBondContact O-N 2.81Å; V84-G86 PolarHBondContact O-N 2.86Å; V84-Y141 HydrophobicContact CG2-CD1 4.36Å; V84-I142 HydrophobicContact CG1-CD1 4.31Å; V84-I142 HydrophobicContact CG1-CG1 4.35Å; V84-I142 HydrophobicContact CG2-CD1 3.88Å; V84-I142 HydrophobicContact CG2-CG1 3.89Å; V84-F170 HydrophobicContact CG1-CE2 3.7Å; V84-F170 HydrophobicContact CG1-CZ 3.37Å
85I94.8Very high93.8Very high3 Ų329.1 Ų29.12%0.01515%0.146CC..  trans-67.7128.6177.6-158.271.2000110.5L76 M107 P108 K166 I167 L168 F170L76-I85 HydrophobicContact CD2-CG2 3.61Å; I85-M107 HydrophobicContact CD1-CB 4.17Å; I85-M107 HydrophobicContact CG1-CB 3.98Å; I85-M107 HydrophobicContact CG1-CG 4.14Å; I85-M107 HydrophobicContact CG1-SD 4.02Å; I85-P108 HydrophobicContact CD1-CB 4.32Å; I85-P108 HydrophobicContact CD1-CG 4.25Å; I85-K166 HydrophobicContact CD1-CB 4.34Å; I85-K166 HydrophobicContact CD1-CD 3.77Å; I85-I167 WeakPolarHBondContact CB-O 3.27Å; I85-I167 VanDerWaalsContact CG2-O 3.24Å; I85-I167 WeakPolarHBondContact CG2-O 3.47Å; I85-I167 PolarHBondContact N-O 2.89Å; I85-L168 HydrophobicContact CB-CD2 3.59Å; I85-L168 HydrophobicContact CD1-CD2 3.96Å; I85-L168 HydrophobicContact CG1-CD2 3.67Å; I85-L168 HydrophobicContact CG2-CD2 3.73Å; I85-F170 HydrophobicContact CG2-CE2 4.28Å
86G93.2Very high93.7Very high17 Ų1730.3 Ų30.318%0.17516%0.155CC..  trans-113.6169.4175.400000112V84 P108V84-G86 PolarHBondContact O-N 2.86Å; G86-P108 WeakPolarHBondContact O-CD 3.46Å
87L94.4Very high93.6Very high12 Ų1232 Ų326%0.06316%0.164CC..  trans-90.2123.7178.5-162.161.8000111.6L73 L76 K77 D89 V90 L105 F349L73-L87 HydrophobicContact CD1-CD2 3.69Å; L76-L87 HydrophobicContact CB-CB 4.04Å; L76-L87 HydrophobicContact CB-CD1 4.43Å; L76-L87 HydrophobicContact CD1-CD1 4.47Å; L76-L87 WeakPolarHBondContact O-CB 3.34Å; L76-L87 PolarHBondContact O-N 2.58Å; L76-L87 VanDerWaalsContact O-N 3.08Å; K77-L87 HydrophobicContact CB-CD2 4.44Å; L87-D89 VanDerWaalsContact CD1-O 3.3Å; L87-D89 WeakPolarHBondContact CD1-O 3.47Å; L87-V90 HydrophobicContact CD2-CB 4.1Å; L87-V90 HydrophobicContact CD2-CG1 4.2Å; L87-L105 HydrophobicContact CD1-CB 4.02Å; L87-L105 HydrophobicContact CD1-CD2 3.71Å; L87-F349 HydrophobicContact CB-CE2 4.23Å; L87-F349 HydrophobicContact CB-CZ 4.33Å; L87-F349 HydrophobicContact CD2-CD2 3.98Å; L87-F349 HydrophobicContact CD2-CE2 3.6Å; L87-F349 HydrophobicContact CD2-CZ 4.11Å; L87-F349 HydrophobicContact CG-CE2 4Å; L87-F349 HydrophobicContact CG-CZ 4.04Å
88L94.7Very high93.5Very high62 Ų6235.8 Ų35.833%0.32519%0.187SC..SBendtrans-88.4-41172-61.5179.4000111.8V51 V106 P108V51-L88 HydrophobicContact CG1-CD1 3.93Å; L88-V106 HydrophobicContact CB-CG1 4.35Å; L88-V106 PolarHBondContact N-O 3.48Å; L88-P108 HydrophobicContact CD1-CG 4.13Å; L88-P108 HydrophobicContact CD2-CG 4.26Å; L88-P108 HydrophobicContact CG-CG 4.19Å
89D95.6Very high93.4Very high4 Ų439.9 Ų39.92%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-155158.3-180-160.123.1000109.8R24 Y25 L87 V106 R351R24-D89 IonicContact NH1-OD2 3.85Å; Y25-D89 WeakPolarHBondContact OH-CB 3.26Å; Y25-D89 VanDerWaalsContact OH-CG 3.31Å; Y25-D89 PolarHBondContact OH-OD2 3.04Å; L87-D89 VanDerWaalsContact CD1-O 3.3Å; L87-D89 WeakPolarHBondContact CD1-O 3.47Å; D89-V106 HydrophobicContact CB-CB 3.78Å; D89-V106 HydrophobicContact CB-CG1 4.42Å; D89-V106 HydrophobicContact CB-CG2 3.86Å; D89-V106 PolarHBondContact N-O 3.44Å; D89-V106 WeakPolarHBondContact O-CB 3.46Å; D89-V106 PolarHBondContact O-N 2.8Å; D89-R351 IonicContact OD1-CZ 3.07Å; D89-R351 IonicContact OD1-NE 2.73Å; D89-R351 PolarHBondContact OD1-NE 3.05Å; D89-R351 IonicContact OD1-NH2 2.62Å; D89-R351 PolarHBondContact OD1-NH2 3.1Å; D89-R351 IonicContact OD2-CZ 3.1Å; D89-R351 IonicContact OD2-NE 3.45Å; D89-R351 IonicContact OD2-NH2 3.32Å; D89-R351 PolarHBondContact OD2-NH2 3.1Å
90V96.5Very high93.3Very high9 Ų939.8 Ų39.86%0.05520%0.2CC..EExtended strand (participates in β ladder)trans-142.2137.9171.158.50000108.8L73 L87 F103 C104 L105 I346 F349L73-V90 HydrophobicContact CD1-CB 4.28Å; L73-V90 HydrophobicContact CD1-CG1 4.3Å; L73-V90 HydrophobicContact CD1-CG2 3.92Å; L87-V90 HydrophobicContact CD2-CB 4.1Å; L87-V90 HydrophobicContact CD2-CG1 4.2Å; V90-F103 HydrophobicContact CG2-CD2 4.07Å; V90-C104 WeakPolarHBondContact CA-O 3.49Å; V90-C104 WeakPolarHBondContact CG2-O 3.3Å; V90-L105 HydrophobicContact CG2-CD2 4.02Å; V90-I346 HydrophobicContact CG1-CG1 4.48Å; V90-I346 HydrophobicContact CG1-CG2 4.39Å; V90-I346 HydrophobicContact CG2-CD1 4.4Å; V90-I346 HydrophobicContact CG2-CG1 3.77Å; V90-I346 HydrophobicContact CG2-CG2 4.37Å; V90-F349 HydrophobicContact CG1-CB 3.6Å; V90-F349 HydrophobicContact CG1-CD1 3.86Å; V90-F349 HydrophobicContact CG1-CD2 4.1Å; V90-F349 HydrophobicContact CG1-CG 3.57Å
91F95.6Very high93.2Very high11 Ų1139.8 Ų39.85%0.04820%0.2CC..EExtended strand (participates in β ladder)trans-149.2159.2-178.763.3-97.9000112.9F9 V21 P22 Y25 I53 F103 C104 V106F9-F91 AromaticContact CE1-CD2 3.88Å; F9-F91 HydrophobicContact CE1-CD2 3.88Å; F9-F91 HydrophobicContact CE1-CE2 4.39Å; F9-F91 HydrophobicContact CZ-CD2 4.43Å; V21-F91 HydrophobicContact CB-CE2 4.25Å; V21-F91 HydrophobicContact CB-CZ 4.1Å; V21-F91 HydrophobicContact CG1-CE2 3.99Å; V21-F91 HydrophobicContact CG1-CZ 3.83Å; P22-F91 VanDerWaalsContact CD-CZ 3.47Å; P22-F91 HydrophobicContact CG-CB 4.44Å; P22-F91 HydrophobicContact CG-CD1 4.03Å; P22-F91 HydrophobicContact CG-CD2 4.08Å; P22-F91 HydrophobicContact CG-CE1 4.25Å; P22-F91 HydrophobicContact CG-CE2 4.32Å; P22-F91 HydrophobicContact CG-CG 3.93Å; P22-F91 HydrophobicContact CG-CZ 4.39Å; Y25-F91 AromaticContact CD2-CE1 3.94Å; Y25-F91 HydrophobicContact CD2-CE1 3.94Å; Y25-F91 HydrophobicContact CD2-CZ 4.49Å; Y25-F91 HydrophobicContact CE2-CD1 4.08Å; Y25-F91 AromaticContact CE2-CE1 3.75Å; Y25-F91 HydrophobicContact CE2-CE1 3.75Å; I53-F91 HydrophobicContact CG2-CE1 4.18Å; I53-F91 HydrophobicContact CG2-CZ 3.93Å; F91-F103 CarbonylContact O-C 3.57Å; F91-F103 WeakPolarHBondContact O-CA 3.49Å; F91-F103 WeakPolarHBondContact O-CB 3.26Å; F91-C104 HydrophobicContact CD1-CB 4.33Å; F91-C104 HydrophobicContact CD2-CB 3.98Å; F91-C104 HydrophobicContact CE1-CB 3.86Å; F91-C104 HydrophobicContact CE2-CB 3.45Å; F91-C104 VanDerWaalsContact CE2-CB 3.45Å; F91-C104 HydrophobicContact CG-CB 4.39Å; F91-C104 HydrophobicContact CZ-CB 3.4Å; F91-C104 PolarHBondContact N-O 3.46Å; F91-C104 PolarHBondContact O-N 2.98Å; F91-V106 HydrophobicContact CD1-CG2 3.94Å; F91-V106 HydrophobicContact CE1-CG2 3.55Å
92T94.8Very high93Very high9 Ų940.8 Ų40.86%0.05521%0.206CC..  trans-134.2147.1165.4179.50000109.1R6 D94 F100 D102 F343R6-T92 PolarHBondContact NH1-O 3.28Å; T92-D94 PolarHBondContact OG1-N 2.9Å; T92-F100 HydrophobicContact CG2-CD2 4.08Å; T92-F100 HydrophobicContact CG2-CE2 4.02Å; T92-D102 WeakPolarHBondContact CB-O 3.34Å; T92-D102 PolarHBondContact OG1-O 3.45Å; T92-F343 HydrophobicContact CG2-CE2 4.13Å
93A91.7Very high93Very high10 Ų1036.8 Ų36.88%0.08319%0.187CC..SBendtrans-74.1-17.6172.700000112F9 E20F9-A93 HydrophobicContact CD1-CB 4.1Å; F9-A93 HydrophobicContact CE1-CB 4.14Å; E20-A93 HydrophobicContact CB-CB 3.62Å; E20-A93 VanDerWaalsContact OE2-CB 3.26Å; E20-A93 WeakPolarHBondContact OE2-CB 3.23Å
94D90.4Very high92.9Very high5 Ų536.8 Ų36.83%0.02719%0.188CC..  trans-79.7128.5-176.9-63.2-49.1000112.1R3 T92 R99 F100 K101R3-D94 IonicContact CZ-OD1 3.23Å; R3-D94 IonicContact NH1-OD1 3.31Å; R3-D94 PolarHBondContact NH1-OD1 3.2Å; R3-D94 IonicContact NH2-OD1 2.7Å; R3-D94 PolarHBondContact NH2-OD1 3.19Å; T92-D94 PolarHBondContact OG1-N 2.9Å; D94-R99 VanDerWaalsContact OD2-O 3.04Å; D94-F100 HydrophobicContact CB-CB 4.42Å; D94-F100 WeakPolarHBondContact OD2-CA 3.25Å; D94-K101 PolarHBondContact OD2-N 2.9Å
95L85.3Confident92.9Very high107 Ų10736.7 Ų36.756%0.5619%0.187SC*.SBendtrans-85.9-12.2-176.9-71.1173000114.7R6R6-L95 HydrophobicContact CG-CD1 4.47Å; R6-L95 HydrophobicContact CG-CD2 4.13Å; R6-L95 HydrophobicContact CG-CG 4.34Å; R6-L95 VanDerWaalsContact CZ-CD2 3.45Å; R6-L95 VanDerWaalsContact NE-CD2 3.31Å
96S90Very high93Very high28 Ų2836.6 Ų36.620%0.19619%0.186CC..SBendtrans-142.3152.3-176.867.80000111.2D98 R99 F100S96-D98 VanDerWaalsContact C-N 3.29Å; S96-D98 PolarHBondContact O-N 3.49Å; S96-R99 PolarHBondContact O-N 3.24Å; S96-R99 VanDerWaalsContact O-N 3.1Å; S96-R99 PolarHBondContact OG-NH2 3.44Å; S96-F100 PolarHBondContact O-N 3.01Å
97L91Very high93.1Very high40 Ų4036.6 Ų36.621%0.20918%0.182CC..G310 helixtrans-56-42.8179.5-177.962.6000111.9R99 F100 K339 R340 F343L97-R99 PolarHBondContact O-N 3.25Å; L97-F100 HydrophobicContact CD1-CD1 4.38Å; L97-F100 VanDerWaalsContact O-CB 3.3Å; L97-F100 WeakPolarHBondContact O-CB 3.37Å; L97-F100 PolarHBondContact O-N 2.96Å; L97-F100 VanDerWaalsContact O-N 3.1Å; L97-K339 HydrophobicContact CD1-CG 3.96Å; L97-K339 WeakPolarHBondContact O-CE 3.49Å; L97-K339 PolarHBondContact O-NZ 2.98Å; L97-K339 VanDerWaalsContact O-NZ 3.09Å; L97-R340 HydrophobicContact CD1-CB 4.41Å; L97-R340 HydrophobicContact CD2-CB 4.06Å; L97-R340 HydrophobicContact CD2-CG 4.1Å; L97-F343 HydrophobicContact CB-CD1 4.25Å; L97-F343 HydrophobicContact CB-CE1 4.4Å; L97-F343 HydrophobicContact CD1-CB 3.74Å; L97-F343 HydrophobicContact CD1-CD1 4.21Å; L97-F343 HydrophobicContact CD1-CG 4Å
98D89.8Confident93.1Very high145 Ų14537.8 Ų37.878%0.77519%0.19SC*.G310 helixtrans-59.5-34.3-179.4-52.8-35.3000112.4S96S96-D98 VanDerWaalsContact C-N 3.29Å; S96-D98 PolarHBondContact O-N 3.49Å
99R88.6Confident93.1Very high130 Ų13038 Ų3849%0.49119%0.189SC..G310 helixtrans-93.4-7.9-179.1-66.8-167.8-64.3-96.5-1.3114D94 S96 L97 K101D94-R99 VanDerWaalsContact OD2-O 3.04Å; S96-R99 PolarHBondContact O-N 3.24Å; S96-R99 VanDerWaalsContact O-N 3.1Å; S96-R99 PolarHBondContact OG-NH2 3.44Å; L97-R99 PolarHBondContact O-N 3.25Å; R99-K101 WeakPolarHBondContact O-CG 3.41Å; R99-K101 PolarHBondContact O-N 3.45Å
100F92.9Very high93Very high2 Ų238.4 Ų38.41%0.00919%0.191CC..  trans-61.5116.8-177.3179.4-140.8000111F60 T92 D94 S96 L97 D102 F103 K339 A342 F343 I346F60-F100 HydrophobicContact CE1-CE1 4.15Å; F60-F100 AromaticContact CE2-CD1 3.7Å; F60-F100 HydrophobicContact CE2-CD1 3.7Å; F60-F100 HydrophobicContact CE2-CD2 4.25Å; F60-F100 AromaticContact CE2-CE1 3.45Å; F60-F100 HydrophobicContact CE2-CE1 3.45Å; F60-F100 VanDerWaalsContact CE2-CE1 3.45Å; F60-F100 HydrophobicContact CE2-CE2 4.02Å; F60-F100 HydrophobicContact CE2-CG 4.1Å; F60-F100 AromaticContact CE2-CZ 3.62Å; F60-F100 HydrophobicContact CE2-CZ 3.62Å; F60-F100 AromaticContact CZ-CD1 3.84Å; F60-F100 HydrophobicContact CZ-CD1 3.84Å; F60-F100 AromaticContact CZ-CE1 3.16Å; F60-F100 HydrophobicContact CZ-CE1 3.16Å; F60-F100 HydrophobicContact CZ-CE2 4.25Å; F60-F100 AromaticContact CZ-CZ 3.4Å; F60-F100 HydrophobicContact CZ-CZ 3.4Å; F60-F100 VanDerWaalsContact CZ-CZ 3.4Å; T92-F100 HydrophobicContact CG2-CD2 4.08Å; T92-F100 HydrophobicContact CG2-CE2 4.02Å; D94-F100 HydrophobicContact CB-CB 4.42Å; D94-F100 WeakPolarHBondContact OD2-CA 3.25Å; S96-F100 PolarHBondContact O-N 3.01Å; L97-F100 HydrophobicContact CD1-CD1 4.38Å; L97-F100 VanDerWaalsContact O-CB 3.3Å; L97-F100 WeakPolarHBondContact O-CB 3.37Å; L97-F100 PolarHBondContact O-N 2.96Å; L97-F100 VanDerWaalsContact O-N 3.1Å; F100-D102 VanDerWaalsContact CE2-O 3.25Å; F100-D102 WeakPolarHBondContact CE2-O 3.27Å; F100-F103 HydrophobicContact CE2-CB 4.01Å; F100-F103 HydrophobicContact CE2-CD1 4.05Å; F100-F103 HydrophobicContact CE2-CG 4.48Å; F100-F103 HydrophobicContact CZ-CB 4.29Å; F100-F103 AromaticContact CZ-CD1 3.64Å; F100-F103 HydrophobicContact CZ-CD1 3.64Å; F100-F103 HydrophobicContact CZ-CE1 4.35Å; F100-F103 HydrophobicContact CZ-CG 4.31Å; F100-K339 HydrophobicContact CD1-CD 4.47Å; F100-K339 HydrophobicContact CD1-CG 3.59Å; F100-K339 HydrophobicContact CE1-CG 4.2Å; F100-K339 WeakPolarHBondContact O-CE 3.37Å; F100-K339 PolarHBondContact O-NZ 3.29Å; F100-A342 HydrophobicContact CE1-CB 4.17Å; F100-F343 HydrophobicContact CB-CD2 4.04Å; F100-F343 HydrophobicContact CB-CE2 4.29Å; F100-F343 HydrophobicContact CD1-CB 3.87Å; F100-F343 AromaticContact CD1-CD2 3.69Å; F100-F343 HydrophobicContact CD1-CD2 3.69Å; F100-F343 HydrophobicContact CD1-CG 4.17Å; F100-F343 AromaticContact CD2-CD2 3.99Å; F100-F343 HydrophobicContact CD2-CD2 3.99Å; F100-F343 HydrophobicContact CD2-CE2 4.42Å; F100-F343 HydrophobicContact CE1-CB 3.85Å; F100-F343 HydrophobicContact CE1-CD2 4.05Å; F100-F343 HydrophobicContact CE1-CG 4.46Å; F100-F343 HydrophobicContact CE2-CD2 4.32Å; F100-F343 AromaticContact CG-CD2 3.66Å; F100-F343 HydrophobicContact CG-CD2 3.66Å; F100-F343 HydrophobicContact CG-CE2 4.26Å; F100-F343 HydrophobicContact CZ-CD2 4.35Å; F100-I346 HydrophobicContact CE1-CD1 4.48Å; F100-I346 HydrophobicContact CE2-CD1 3.95Å; F100-I346 HydrophobicContact CZ-CD1 3.51Å
101K91Very high92.7Very high133 Ų13340.3 Ų40.358%0.57821%0.212SC*.  trans-118.2-39.7-176-74.6174.6-173.5-171.10113P59 F60 D94 R99P59-K101 WeakPolarHBondContact CD-O 3.4Å; F60-K101 VanDerWaalsContact CD2-O 3.31Å; F60-K101 WeakPolarHBondContact CD2-O 3.13Å; D94-K101 PolarHBondContact OD2-N 2.9Å; R99-K101 WeakPolarHBondContact O-CG 3.41Å; R99-K101 PolarHBondContact O-N 3.45Å
102D92.6Very high92.6Very high40 Ų4041.5 Ų41.521%0.21422%0.22CC..  trans-151.8167-179.760.246.1000110.7K55 P59 T92 F100K55-D102 WeakPolarHBondContact CE-OD2 3.36Å; K55-D102 IonicContact NZ-OD2 2.64Å; K55-D102 PolarHBondContact NZ-OD2 3.43Å; P59-D102 HydrophobicContact CG-CB 4.36Å; T92-D102 WeakPolarHBondContact CB-O 3.34Å; T92-D102 PolarHBondContact OG1-O 3.45Å; F100-D102 VanDerWaalsContact CE2-O 3.25Å; F100-D102 WeakPolarHBondContact CE2-O 3.27Å
103F95.9Very high92.6Very high0 Ų042.2 Ų42.20%022%0.223CC..  trans-142.1161.1172.659-82.9000109.8L56 P59 F60 A69 L73 V90 F91 F100 L105 I346L56-F103 HydrophobicContact CD1-CD1 4.27Å; L56-F103 HydrophobicContact CD1-CD2 4.05Å; L56-F103 HydrophobicContact CD1-CE1 3.68Å; L56-F103 HydrophobicContact CD1-CE2 3.41Å; L56-F103 VanDerWaalsContact CD1-CE2 3.41Å; L56-F103 HydrophobicContact CD1-CG 4.45Å; L56-F103 HydrophobicContact CD1-CZ 3.23Å; L56-F103 HydrophobicContact CG-CE2 4.46Å; L56-F103 PolarHBondContact N-O 3.44Å; P59-F103 HydrophobicContact CB-CE1 4.3Å; P59-F103 HydrophobicContact CG-CD1 4.37Å; P59-F103 HydrophobicContact CG-CE1 4.28Å; F60-F103 HydrophobicContact CZ-CD1 4.06Å; F60-F103 AromaticContact CZ-CE1 3.92Å; F60-F103 HydrophobicContact CZ-CE1 3.92Å; A69-F103 HydrophobicContact CB-CE1 4.13Å; A69-F103 HydrophobicContact CB-CZ 3.96Å; L73-F103 HydrophobicContact CB-CE2 4.28Å; L73-F103 HydrophobicContact CD2-CE2 4.39Å; V90-F103 HydrophobicContact CG2-CD2 4.07Å; F91-F103 CarbonylContact O-C 3.57Å; F91-F103 WeakPolarHBondContact O-CA 3.49Å; F91-F103 WeakPolarHBondContact O-CB 3.26Å; F100-F103 HydrophobicContact CE2-CB 4.01Å; F100-F103 HydrophobicContact CE2-CD1 4.05Å; F100-F103 HydrophobicContact CE2-CG 4.48Å; F100-F103 HydrophobicContact CZ-CB 4.29Å; F100-F103 AromaticContact CZ-CD1 3.64Å; F100-F103 HydrophobicContact CZ-CD1 3.64Å; F100-F103 HydrophobicContact CZ-CE1 4.35Å; F100-F103 HydrophobicContact CZ-CG 4.31Å; F103-L105 HydrophobicContact CD2-CD2 4.18Å; F103-L105 HydrophobicContact CD2-CG 4.32Å; F103-L105 HydrophobicContact CE2-CD2 3.95Å; F103-L105 HydrophobicContact CE2-CG 4.19Å; F103-I346 HydrophobicContact CB-CD1 3.61Å; F103-I346 HydrophobicContact CD1-CD1 4.08Å; F103-I346 HydrophobicContact CD2-CD1 4.13Å; F103-I346 HydrophobicContact CG-CD1 3.7Å
104C96.3Very high92.7Very high4 Ų441.8 Ų41.83%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-116.4139178.4-63.10000110.1I53 K54 V90 F91I53-C104 HydrophobicContact CG2-CB 3.85Å; K54-C104 CarbonylContact O-C 3.58Å; K54-C104 VanDerWaalsContact O-CA 3.27Å; K54-C104 WeakPolarHBondContact O-CA 3.37Å; V90-C104 WeakPolarHBondContact CA-O 3.49Å; V90-C104 WeakPolarHBondContact CG2-O 3.3Å; F91-C104 HydrophobicContact CD1-CB 4.33Å; F91-C104 HydrophobicContact CD2-CB 3.98Å; F91-C104 HydrophobicContact CE1-CB 3.86Å; F91-C104 HydrophobicContact CE2-CB 3.45Å; F91-C104 VanDerWaalsContact CE2-CB 3.45Å; F91-C104 HydrophobicContact CG-CB 4.39Å; F91-C104 HydrophobicContact CZ-CB 3.4Å; F91-C104 PolarHBondContact N-O 3.46Å; F91-C104 PolarHBondContact O-N 2.98Å
105L95.9Very high92.9Very high0 Ų042.2 Ų42.20%023%0.226CC..EExtended strand (participates in β ladder)trans-105.5128.4175.9-60.7164.2000108.5I53 K54 L56 E72 L73 L76 L87 V90 F103I53-L105 CarbonylContact C-O 3.54Å; I53-L105 WeakPolarHBondContact CA-O 3.48Å; K54-L105 HydrophobicContact CB-CB 4.42Å; K54-L105 PolarHBondContact N-O 3.43Å; K54-L105 PolarHBondContact O-N 3.23Å; L56-L105 HydrophobicContact CD2-CD1 4.47Å; E72-L105 HydrophobicContact CG-CD1 4.2Å; L73-L105 HydrophobicContact CD1-CD2 3.8Å; L76-L105 HydrophobicContact CD1-CD1 3.75Å; L76-L105 HydrophobicContact CD1-CD2 4.24Å; L76-L105 HydrophobicContact CD1-CG 4.41Å; L87-L105 HydrophobicContact CD1-CB 4.02Å; L87-L105 HydrophobicContact CD1-CD2 3.71Å; V90-L105 HydrophobicContact CG2-CD2 4.02Å; F103-L105 HydrophobicContact CD2-CD2 4.18Å; F103-L105 HydrophobicContact CD2-CG 4.32Å; F103-L105 HydrophobicContact CE2-CD2 3.95Å; F103-L105 HydrophobicContact CE2-CG 4.19Å
106V96.6Very high93.3Very high0 Ų041.7 Ų41.70%022%0.219CC..EExtended strand (participates in β ladder)trans-106.9126.9177.6-172.30000109.1Y25 V51 A52 I53 L88 D89 F91Y25-V106 HydrophobicContact CE1-CG1 4.03Å; Y25-V106 HydrophobicContact CE2-CG2 4.06Å; V51-V106 HydrophobicContact CB-CG1 3.76Å; V51-V106 HydrophobicContact CG1-CG1 4.17Å; V51-V106 HydrophobicContact CG2-CG1 3.82Å; A52-V106 CarbonylContact O-C 3.53Å; A52-V106 WeakPolarHBondContact O-CA 3.27Å; I53-V106 HydrophobicContact CG1-CG1 4.38Å; I53-V106 HydrophobicContact CG1-CG2 4.22Å; I53-V106 HydrophobicContact CG2-CG2 4.41Å; L88-V106 HydrophobicContact CB-CG1 4.35Å; L88-V106 PolarHBondContact N-O 3.48Å; D89-V106 HydrophobicContact CB-CB 3.78Å; D89-V106 HydrophobicContact CB-CG1 4.42Å; D89-V106 HydrophobicContact CB-CG2 3.86Å; D89-V106 PolarHBondContact N-O 3.44Å; D89-V106 WeakPolarHBondContact O-CB 3.46Å; D89-V106 PolarHBondContact O-N 2.8Å; F91-V106 HydrophobicContact CD1-CG2 3.94Å; F91-V106 HydrophobicContact CE1-CG2 3.55Å
107M95.4Very high93.5Very high18 Ų1842.5 Ų42.59%0.08922%0.221CC..EExtended strand (participates in β ladder)trans-134.8162.5-173.3-62.4167.1-67.900110.2A52 K54 L76 I85 F109A52-M107 PolarHBondContact N-O 3.49Å; A52-M107 PolarHBondContact O-N 2.71Å; K54-M107 HydrophobicContact CB-CE 3.76Å; L76-M107 HydrophobicContact CD1-SD 4.38Å; L76-M107 HydrophobicContact CD2-SD 4.42Å; I85-M107 HydrophobicContact CD1-CB 4.17Å; I85-M107 HydrophobicContact CG1-CB 3.98Å; I85-M107 HydrophobicContact CG1-CG 4.14Å; I85-M107 HydrophobicContact CG1-SD 4.02Å; M107-F109 PolarHBondContact O-N 3.4Å
108P94.6Very high93.7Very high36 Ų3641.7 Ų41.723%0.23422%0.216CC..EExtended strand (participates in β ladder)trans-55.3137.5170.1-24.334.7000111.7I85 G86 L88I85-P108 HydrophobicContact CD1-CB 4.32Å; I85-P108 HydrophobicContact CD1-CG 4.25Å; G86-P108 WeakPolarHBondContact O-CD 3.46Å; L88-P108 HydrophobicContact CD1-CG 4.13Å; L88-P108 HydrophobicContact CD2-CG 4.26Å; L88-P108 HydrophobicContact CG-CG 4.19Å
109F95Very high93.9Very high67 Ų6743.8 Ų43.829%0.29422%0.218SC..  trans-86.9121.3173.9-179.5-102.2000110.4V31 R50 A52 M107V31-F109 HydrophobicContact CG2-CE2 3.99Å; R50-F109 HydrophobicContact CB-CB 4.11Å; R50-F109 HydrophobicContact CB-CD1 4.1Å; R50-F109 HydrophobicContact CB-CG 4.29Å; R50-F109 WeakPolarHBondContact O-CB 3.41Å; A52-F109 HydrophobicContact CB-CD2 4.33Å; M107-F109 PolarHBondContact O-N 3.4Å
110M93.5Very high94.1Very high13 Ų1345.9 Ų45.96%0.06423%0.231CC..  trans-105-0.9-175.9-64.5-62.6-65.700113.8T112 V158 V159 N160 E164 K166M110-T112 PolarHBondContact O-N 3.24Å; M110-V158 HydrophobicContact CB-CB 3.68Å; M110-V158 HydrophobicContact CB-CG2 3.58Å; M110-V158 HydrophobicContact CG-CB 4.22Å; M110-V158 HydrophobicContact CG-CG2 3.53Å; M110-V159 CarbonylContact O-C 3.59Å; M110-N160 HydrophobicContact CE-CB 4.16Å; M110-N160 WeakPolarHBondContact O-CA 3.32Å; M110-N160 WeakPolarHBondContact O-CB 3.32Å; M110-N160 PolarHBondContact O-N 3.07Å; M110-E164 HydrophobicContact CE-CB 4.15Å; M110-E164 WeakPolarHBondContact CE-O 3.48Å; M110-K166 HydrophobicContact CE-CB 4.46Å; M110-K166 HydrophobicContact CE-CD 4.25Å; M110-K166 HydrophobicContact CE-CG 3.97Å; M110-K166 HydrophobicContact CG-CB 4.46Å; M110-K166 HydrophobicContact CG-CD 4.15Å; M110-K166 HydrophobicContact CG-CG 4.49Å; M110-K166 HydrophobicContact SD-CD 3.68Å; M110-K166 HydrophobicContact SD-CG 4.07Å
111G90.1Very high94Very high48 Ų4849.1 Ų49.150%0.49525%0.251SS..SBendtrans89-71177.400000114.8
112T93.1Very high94.2Very high36 Ų3650.5 Ų50.522%0.22126%0.257CS..EExtended strand (participates in β ladder)trans-138.8169.8-178.1-150.60000113.7M110 L117 V158 V159M110-T112 PolarHBondContact O-N 3.24Å; T112-L117 HydrophobicContact CG2-CB 4.23Å; T112-V158 CarbonylContact O-C 3.55Å; T112-V158 VanDerWaalsContact O-CA 3.25Å; T112-V158 WeakPolarHBondContact O-CA 3.24Å; T112-V158 WeakPolarHBondContact O-CB 3.47Å; T112-V159 HydrophobicContact CG2-CG2 3.78Å; T112-V159 PolarHBondContact N-O 3.41Å; T112-V159 PolarHBondContact O-N 2.72Å
113D93.9Very high94.4Very high24 Ų2449.3 Ų49.313%0.12825%0.251CS..EExtended strand (participates in β ladder)trans-101.2152.4171.164.582.6000110.9G115 K116 L117 L157 V158D113-G115 PolarHBondContact O-N 2.8Å; D113-G115 WeakPolarHBondContact OD1-CA 3.42Å; D113-G115 PolarHBondContact OD1-N 2.94Å; D113-K116 PolarHBondContact O-N 3.36Å; D113-K116 PolarHBondContact OD1-N 3.35Å; D113-K116 WeakPolarHBondContact OD2-CD 3.38Å; D113-K116 WeakPolarHBondContact OD2-CE 3.38Å; D113-K116 WeakPolarHBondContact OD2-CG 3.38Å; D113-K116 IonicContact OD2-NZ 2.68Å; D113-K116 PolarHBondContact OD2-NZ 2.99Å; D113-L117 PolarHBondContact O-N 3.25Å; D113-L157 CarbonylContact C-O 3.44Å; D113-L157 WeakPolarHBondContact CA-O 3.44Å; D113-V158 HydrophobicContact CB-CG1 4.21Å
114L95.8Very high94.4Very high1 Ų151.9 Ų51.91%0.00527%0.269CS..Hα-helixtrans-58.6-35.1-177.1-176.664.3000111.4K116 L117 M118 L123 L131 P154 L157 I213 M217L114-K116 PolarHBondContact O-N 2.88Å; L114-L117 HydrophobicContact CD1-CD2 4.26Å; L114-L117 PolarHBondContact O-N 2.78Å; L114-M118 HydrophobicContact CD1-CG 4.18Å; L114-M118 HydrophobicContact CG-CE 4.18Å; L114-M118 HydrophobicContact CG-CG 4.26Å; L114-M118 HydrophobicContact CG-SD 4.21Å; L114-M118 WeakPolarHBondContact O-CG 3.3Å; L114-M118 PolarHBondContact O-N 2.67Å; L114-L123 HydrophobicContact CD1-CD1 4.14Å; L114-L131 HydrophobicContact CD1-CD1 3.95Å; L114-P154 HydrophobicContact CB-CB 4.25Å; L114-P154 WeakPolarHBondContact CB-O 3.34Å; L114-P154 HydrophobicContact CG-CB 4.41Å; L114-P154 PolarHBondContact N-O 2.98Å; L114-L157 HydrophobicContact CB-CB 4.02Å; L114-L157 HydrophobicContact CD2-CB 4.34Å; L114-L157 HydrophobicContact CD2-CD1 3.77Å; L114-L157 PolarHBondContact N-O 2.97Å; L114-I213 HydrophobicContact CD2-CG2 3.65Å; L114-M217 HydrophobicContact CD1-SD 4.13Å; L114-M217 HydrophobicContact CD2-CG 4.45Å; L114-M217 HydrophobicContact CD2-SD 3.94Å
115G93.4Very high94.4Very high15 Ų1554.3 Ų54.316%0.15528%0.28CS..Hα-helixtrans-61-41.7175.900000113D113 K119 P154D113-G115 PolarHBondContact O-N 2.8Å; D113-G115 WeakPolarHBondContact OD1-CA 3.42Å; D113-G115 PolarHBondContact OD1-N 2.94Å; G115-K119 WeakPolarHBondContact O-CG 3.17Å; G115-P154 PolarHBondContact N-O 2.71Å
116K93.1Very high94.5Very high96 Ų9660.3 Ų60.342%0.41731%0.308SS..Hα-helixtrans-71-37.4172.4-71.8179.3-168.6128.30112.3D113 L114 K119 K120D113-K116 PolarHBondContact O-N 3.36Å; D113-K116 PolarHBondContact OD1-N 3.35Å; D113-K116 WeakPolarHBondContact OD2-CD 3.38Å; D113-K116 WeakPolarHBondContact OD2-CE 3.38Å; D113-K116 WeakPolarHBondContact OD2-CG 3.38Å; D113-K116 IonicContact OD2-NZ 2.68Å; D113-K116 PolarHBondContact OD2-NZ 2.99Å; L114-K116 PolarHBondContact O-N 2.88Å; K116-K119 PolarHBondContact O-N 3.07Å; K116-K120 WeakPolarHBondContact O-CG 3.38Å; K116-K120 PolarHBondContact O-N 3.35Å
117L94.7Very high94.5Very high44 Ų4465 Ų6523%0.2333%0.328CS..Hα-helixtrans-61.9-50.1178.2-179.562.2000111.4T112 D113 L114 K119 K120 T121 L123 V159T112-L117 HydrophobicContact CG2-CB 4.23Å; D113-L117 PolarHBondContact O-N 3.25Å; L114-L117 HydrophobicContact CD1-CD2 4.26Å; L114-L117 PolarHBondContact O-N 2.78Å; L117-K119 PolarHBondContact O-N 2.98Å; L117-K120 PolarHBondContact O-N 3.43Å; L117-T121 HydrophobicContact CD1-CG2 3.87Å; L117-T121 HydrophobicContact CG-CG2 4.37Å; L117-T121 PolarHBondContact O-N 3.41Å; L117-L123 HydrophobicContact CD2-CD2 3.97Å; L117-L123 HydrophobicContact CG-CD2 4.17Å; L117-V159 HydrophobicContact CB-CG2 4.4Å; L117-V159 HydrophobicContact CD2-CG2 3.78Å
118M95Very high94.6Very high24 Ų2464.2 Ų64.212%0.11832%0.324CS..Hα-helixtrans-63.1-26.3-179.4-69.2-174.1-5800113.6L114 K120 L123 P154 E216 M217L114-M118 HydrophobicContact CD1-CG 4.18Å; L114-M118 HydrophobicContact CG-CE 4.18Å; L114-M118 HydrophobicContact CG-CG 4.26Å; L114-M118 HydrophobicContact CG-SD 4.21Å; L114-M118 WeakPolarHBondContact O-CG 3.3Å; L114-M118 PolarHBondContact O-N 2.67Å; M118-K120 VanDerWaalsContact C-N 3.35Å; M118-L123 HydrophobicContact CG-CD1 4.14Å; M118-P154 HydrophobicContact CE-CB 3.54Å; M118-P154 HydrophobicContact CE-CG 3.59Å; M118-E216 HydrophobicContact CE-CG 3.92Å; M118-E216 HydrophobicContact SD-CG 4.01Å; M118-M217 HydrophobicContact CG-CG 4.31Å; M118-M217 HydrophobicContact SD-CB 4.23Å; M118-M217 HydrophobicContact SD-CG 3.4Å; M118-M217 WeakPolarHBondContact SD-CG 3.34Å
119K93.6Very high94.8Very high188 Ų18863.7 Ų63.782%0.81732%0.319SS*.Hα-helixtrans-74-25.7173.7-73.9175.4-177.7178.60113.3G115 K116 L117G115-K119 WeakPolarHBondContact O-CG 3.17Å; K116-K119 PolarHBondContact O-N 3.07Å; L117-K119 PolarHBondContact O-N 2.98Å
120K92.7Very high94.9Very high174 Ų17461.8 Ų61.876%0.75731%0.314SS*.Hα-helixtrans-94.1-33.2-175.9-71.3179.9178.2-176.20112.5K116 L117 M118K116-K120 WeakPolarHBondContact O-CG 3.38Å; K116-K120 PolarHBondContact O-N 3.35Å; L117-K120 PolarHBondContact O-N 3.43Å; M118-K120 VanDerWaalsContact C-N 3.35Å
121T92.6Very high95.1Very high71 Ų7161.3 Ų61.344%0.43631%0.311SS..  trans-146.2147.8-174.4-156.30000111.8L117 L123L117-T121 HydrophobicContact CD1-CG2 3.87Å; L117-T121 HydrophobicContact CG-CG2 4.37Å; L117-T121 PolarHBondContact O-N 3.41Å; T121-L123 HydrophobicContact CG2-CD2 4.03Å
122K94.4Very high95.5Very high162 Ų16259.1 Ų59.170%0.70429%0.288SS*.PPolyproline II helixtrans-81.1129.9169.3-173.6175.6-179.7-179.10108.5
123L95.9Very high95.8Very high15 Ų1557.7 Ų57.78%0.07928%0.279CS..PPolyproline II helixtrans-82.8141.5180-58.3176.6000110.4L114 L117 M118 T121 I128 L131 M217L114-L123 HydrophobicContact CD1-CD1 4.14Å; L117-L123 HydrophobicContact CD2-CD2 3.97Å; L117-L123 HydrophobicContact CG-CD2 4.17Å; M118-L123 HydrophobicContact CG-CD1 4.14Å; T121-L123 HydrophobicContact CG2-CD2 4.03Å; L123-I128 HydrophobicContact CB-CD1 4.28Å; L123-I128 HydrophobicContact CB-CG1 3.84Å; L123-L131 HydrophobicContact CD1-CD1 4.03Å; L123-M217 HydrophobicContact CD1-CB 4.33Å; L123-M217 HydrophobicContact CD1-CG 3.92Å; L123-M217 HydrophobicContact CD1-SD 3.89Å
124S96.8Very high96Very high53 Ų5357.5 Ų57.537%0.37128%0.277SS..PPolyproline II helixtrans-72.3153.8167.259.40000109.8E126 K127 I128S124-E126 PolarHBondContact O-N 2.9Å; S124-K127 WeakPolarHBondContact O-CB 3.25Å; S124-K127 PolarHBondContact O-N 3.38Å; S124-K127 WeakPolarHBondContact OG-CG 3.21Å; S124-K127 PolarHBondContact OG-N 2.79Å; S124-I128 WeakPolarHBondContact O-CG1 3.35Å; S124-I128 PolarHBondContact O-N 3.43Å
125E96.4Very high96.1Very high55 Ų5557.7 Ų57.726%0.25728%0.278SS..Hα-helixtrans-61.2-33.6-179.7-167169.5159.600112.6K127 I128 Q129 S279 A282 Y308E125-K127 PolarHBondContact O-N 3.27Å; E125-I128 WeakPolarHBondContact O-CB 3.44Å; E125-I128 PolarHBondContact O-N 3.47Å; E125-Q129 WeakPolarHBondContact O-CB 3.14Å; E125-Q129 PolarHBondContact O-N 2.76Å; E125-S279 WeakPolarHBondContact OE1-CB 3.46Å; E125-S279 PolarHBondContact OE1-N 3.24Å; E125-S279 PolarHBondContact OE1-OG 3.02Å; E125-S279 PolarHBondContact OE2-N 3.43Å; E125-A282 VanDerWaalsContact OE1-CB 3.3Å; E125-A282 WeakPolarHBondContact OE1-CB 3.19Å; E125-Y308 HydrophobicContact CG-CE2 4.27Å; E125-Y308 WeakPolarHBondContact CG-OH 3.33Å; E125-Y308 PolarHBondContact O-OH 2.84Å
126E96.9Very high96.4Very high126 Ų12657 Ų5759%0.58927%0.271SS*.Hα-helixtrans-59.7-43.1171.7-176.4-176.5-171.900112.4S124 I128 Q129 C130 F312S124-E126 PolarHBondContact O-N 2.9Å; E126-I128 VanDerWaalsContact C-N 3.34Å; E126-Q129 WeakPolarHBondContact O-CB 3.12Å; E126-Q129 PolarHBondContact O-N 3.33Å; E126-C130 WeakPolarHBondContact O-CB 3.34Å; E126-C130 PolarHBondContact O-N 3.44Å; E126-F312 HydrophobicContact CG-CE2 4.36Å; E126-F312 HydrophobicContact CG-CZ 3.84Å
127K96.8Very high96.6Very high98 Ų9852.6 Ų52.643%0.42625%0.252SS..Hα-helixtrans-66.2-38.6174.6-75.3-176.6177-172.20111.6S124 E125 C130 L131S124-K127 WeakPolarHBondContact O-CB 3.25Å; S124-K127 PolarHBondContact O-N 3.38Å; S124-K127 WeakPolarHBondContact OG-CG 3.21Å; S124-K127 PolarHBondContact OG-N 2.79Å; E125-K127 PolarHBondContact O-N 3.27Å; K127-C130 PolarHBondContact O-N 2.92Å; K127-L131 WeakPolarHBondContact O-CB 3.45Å; K127-L131 WeakPolarHBondContact O-CG 3.17Å; K127-L131 PolarHBondContact O-N 3.22Å
128I98Very high96.8Very high3 Ų350.5 Ų50.52%0.01524%0.241CC..Hα-helixtrans-61.8-48.4176-64.2176.5000109.7L123 S124 E125 E126 C130 L131 V132 M214 M217 L218L123-I128 HydrophobicContact CB-CD1 4.28Å; L123-I128 HydrophobicContact CB-CG1 3.84Å; S124-I128 WeakPolarHBondContact O-CG1 3.35Å; S124-I128 PolarHBondContact O-N 3.43Å; E125-I128 WeakPolarHBondContact O-CB 3.44Å; E125-I128 PolarHBondContact O-N 3.47Å; E126-I128 VanDerWaalsContact C-N 3.34Å; I128-C130 PolarHBondContact O-N 3.23Å; I128-L131 PolarHBondContact O-N 2.92Å; I128-V132 HydrophobicContact CG2-CG2 4.19Å; I128-V132 WeakPolarHBondContact O-CB 3.39Å; I128-V132 VanDerWaalsContact O-CG2 3.23Å; I128-V132 WeakPolarHBondContact O-CG2 3.15Å; I128-V132 PolarHBondContact O-N 2.85Å; I128-M214 HydrophobicContact CG2-CG 4.16Å; I128-M217 HydrophobicContact CD1-CB 3.81Å; I128-M217 HydrophobicContact CG1-CB 3.84Å; I128-M217 HydrophobicContact CG1-SD 4.43Å; I128-M217 HydrophobicContact CG2-CB 4.23Å; I128-M217 HydrophobicContact CG2-CE 4.11Å; I128-M217 HydrophobicContact CG2-SD 4.47Å; I128-L218 HydrophobicContact CD1-CD2 3.72Å; I128-L218 HydrophobicContact CD1-CG 4.07Å
129Q98.1Very high96.9Very high24 Ų2449.3 Ų49.311%0.11224%0.235CC..Hα-helixtrans-54.8-49.8176.7-170.9-169.7-2.100111.3E125 E126 Y133 Y308 F309 F312E125-Q129 WeakPolarHBondContact O-CB 3.14Å; E125-Q129 PolarHBondContact O-N 2.76Å; E126-Q129 WeakPolarHBondContact O-CB 3.12Å; E126-Q129 PolarHBondContact O-N 3.33Å; Q129-Y133 VanDerWaalsContact O-CB 3.26Å; Q129-Y133 WeakPolarHBondContact O-CB 3.44Å; Q129-Y133 PolarHBondContact O-N 2.89Å; Q129-Y308 HydrophobicContact CB-CE1 3.86Å; Q129-Y308 HydrophobicContact CB-CE2 4.39Å; Q129-Y308 HydrophobicContact CG-CD1 4.15Å; Q129-Y308 HydrophobicContact CG-CE1 3.88Å; Q129-Y308 HydrophobicContact CG-CE2 4.32Å; Q129-Y308 WeakPolarHBondContact CG-O 3.32Å; Q129-Y308 PolarHBondContact NE2-O 2.91Å; Q129-F309 HydrophobicContact CG-CD1 4.23Å; Q129-F312 HydrophobicContact CB-CD2 4.33Å; Q129-F312 HydrophobicContact CB-CE2 3.98Å; Q129-F312 VanDerWaalsContact CD-CE2 3.41Å; Q129-F312 HydrophobicContact CG-CD2 3.74Å; Q129-F312 HydrophobicContact CG-CE2 3.79Å
130C97.6Very high97.1Very high28 Ų2841.6 Ų41.619%0.18920%0.202CC..Hα-helixtrans-61.4-47.1178-178.10000112.8E126 K127 I128 Y133 Q134 F312E126-C130 WeakPolarHBondContact O-CB 3.34Å; E126-C130 PolarHBondContact O-N 3.44Å; K127-C130 PolarHBondContact O-N 2.92Å; I128-C130 PolarHBondContact O-N 3.23Å; C130-Y133 PolarHBondContact O-N 3.37Å; C130-Q134 WeakPolarHBondContact O-CG 3.42Å; C130-Q134 PolarHBondContact O-N 2.95Å; C130-Q134 PolarHBondContact O-NE2 3.45Å; C130-Q134 PolarHBondContact SG-NE2 3.28Å; C130-F312 HydrophobicContact CB-CD2 4.48Å; C130-F312 HydrophobicContact CB-CE1 4.28Å; C130-F312 HydrophobicContact CB-CE2 4.13Å; C130-F312 HydrophobicContact CB-CZ 4.04Å
131L98.3Very high97.4Very high3 Ų334 Ų342%0.01617%0.168CC..Hα-helixtrans-68.5-38.9-178.8-69.2170.5000112.5L114 L123 K127 I128 T135 V159 L165 M217L114-L131 HydrophobicContact CD1-CD1 3.95Å; L123-L131 HydrophobicContact CD1-CD1 4.03Å; K127-L131 WeakPolarHBondContact O-CB 3.45Å; K127-L131 WeakPolarHBondContact O-CG 3.17Å; K127-L131 PolarHBondContact O-N 3.22Å; I128-L131 PolarHBondContact O-N 2.92Å; L131-T135 WeakPolarHBondContact O-CB 3.44Å; L131-T135 PolarHBondContact O-N 3.2Å; L131-T135 PolarHBondContact O-OG1 2.99Å; L131-V159 HydrophobicContact CD2-CG1 3.71Å; L131-L165 HydrophobicContact CB-CD1 4.37Å; L131-L165 HydrophobicContact CD2-CB 4.13Å; L131-L165 HydrophobicContact CD2-CD1 3.96Å; L131-M217 HydrophobicContact CB-SD 4.45Å; L131-M217 HydrophobicContact CD1-SD 4.26Å
132V98.6Very high97.5Very high1 Ų130.7 Ų30.71%0.00615%0.148CC..Hα-helixtrans-68.2-42.1175.5176.70000110.2I128 Q134 T135 L136 V210 M214 M217 F309I128-V132 HydrophobicContact CG2-CG2 4.19Å; I128-V132 WeakPolarHBondContact O-CB 3.39Å; I128-V132 VanDerWaalsContact O-CG2 3.23Å; I128-V132 WeakPolarHBondContact O-CG2 3.15Å; I128-V132 PolarHBondContact O-N 2.85Å; V132-Q134 PolarHBondContact O-N 3.49Å; V132-T135 WeakPolarHBondContact O-CB 3.48Å; V132-T135 PolarHBondContact O-N 2.81Å; V132-L136 HydrophobicContact CG1-CD1 4.04Å; V132-L136 HydrophobicContact CG1-CG 4.31Å; V132-L136 WeakPolarHBondContact O-CG 3.29Å; V132-L136 PolarHBondContact O-N 3.4Å; V132-V210 HydrophobicContact CG1-CG1 3.91Å; V132-M214 HydrophobicContact CG1-SD 4.3Å; V132-M214 HydrophobicContact CG2-CB 3.93Å; V132-M214 HydrophobicContact CG2-CG 3.95Å; V132-M214 HydrophobicContact CG2-SD 4.19Å; V132-M217 HydrophobicContact CG2-CE 3.36Å; V132-F309 HydrophobicContact CB-CE1 3.97Å; V132-F309 HydrophobicContact CB-CZ 4.32Å; V132-F309 HydrophobicContact CG1-CE1 3.73Å; V132-F309 HydrophobicContact CG1-CZ 3.56Å
133Y98.6Very high97.6Very high7 Ų723.5 Ų23.53%0.02712%0.117CC..Hα-helixtrans-56.1-51.7175.3178.8-109.7000111.6Q129 C130 T135 L136 K137 L304 F309 F312 R313 E314 E318Q129-Y133 VanDerWaalsContact O-CB 3.26Å; Q129-Y133 WeakPolarHBondContact O-CB 3.44Å; Q129-Y133 PolarHBondContact O-N 2.89Å; C130-Y133 PolarHBondContact O-N 3.37Å; Y133-T135 VanDerWaalsContact C-N 3.29Å; Y133-T135 PolarHBondContact O-N 3.25Å; Y133-L136 PolarHBondContact O-N 2.95Å; Y133-L136 VanDerWaalsContact O-N 3.16Å; Y133-K137 HydrophobicContact CE1-CD 4.26Å; Y133-K137 WeakPolarHBondContact O-CB 3.26Å; Y133-K137 PolarHBondContact O-N 3.5Å; Y133-L304 HydrophobicContact CD2-CD2 3.54Å; Y133-L304 HydrophobicContact CE2-CD2 3.35Å; Y133-F309 HydrophobicContact CD2-CB 3.85Å; Y133-F309 HydrophobicContact CD2-CD1 4.23Å; Y133-F309 HydrophobicContact CD2-CG 4.11Å; Y133-F309 HydrophobicContact CE2-CB 4.47Å; Y133-F309 HydrophobicContact CG-CD1 4.49Å; Y133-F312 HydrophobicContact CD1-CB 4.08Å; Y133-F312 HydrophobicContact CE1-CB 4.49Å; Y133-F312 VanDerWaalsContact CE1-O 3.27Å; Y133-F312 WeakPolarHBondContact CE1-O 2.98Å; Y133-F312 HydrophobicContact CG-CB 4.36Å; Y133-R313 HydrophobicContact CE2-CB 4.28Å; Y133-R313 HydrophobicContact CE2-CG 4.04Å; Y133-E314 PolarHBondContact OH-N 3.38Å; Y133-E318 PolarHBondContact OH-OE1 3.01Å
134Q98.6Very high97.6Very high19 Ų1924.9 Ų24.99%0.08913%0.127CC..Hα-helixtrans-60.4-37.4176.9-73.5-18076.100112.7N83 C130 V132 K137 G138 C163 L165N83-Q134 VanDerWaalsContact CB-O 3.23Å; N83-Q134 WeakPolarHBondContact CB-O 3.4Å; N83-Q134 WeakPolarHBondContact ND2-CB 3.09Å; N83-Q134 PolarHBondContact ND2-OE1 3.31Å; N83-Q134 VanDerWaalsContact ND2-OE1 3.07Å; N83-Q134 PolarHBondContact OD1-O 3.18Å; C130-Q134 WeakPolarHBondContact O-CG 3.42Å; C130-Q134 PolarHBondContact O-N 2.95Å; C130-Q134 PolarHBondContact O-NE2 3.45Å; C130-Q134 PolarHBondContact SG-NE2 3.28Å; V132-Q134 PolarHBondContact O-N 3.49Å; Q134-K137 PolarHBondContact O-N 3.17Å; Q134-G138 PolarHBondContact O-N 3.23Å; Q134-C163 PolarHBondContact NE2-O 2.86Å; Q134-L165 HydrophobicContact CB-CB 4.06Å; Q134-L165 HydrophobicContact CB-CD2 4.36Å
135T98.6Very high97.4Very high5 Ų522.7 Ų22.73%0.03111%0.112CC..Hα-helixtrans-64.8-44.6175.6-56.20000111.1L131 V132 Y133 G138 L139 L152 L157 L165 I167 V210L131-T135 WeakPolarHBondContact O-CB 3.44Å; L131-T135 PolarHBondContact O-N 3.2Å; L131-T135 PolarHBondContact O-OG1 2.99Å; V132-T135 WeakPolarHBondContact O-CB 3.48Å; V132-T135 PolarHBondContact O-N 2.81Å; Y133-T135 VanDerWaalsContact C-N 3.29Å; Y133-T135 PolarHBondContact O-N 3.25Å; T135-G138 PolarHBondContact O-N 3.27Å; T135-L139 HydrophobicContact CG2-CD1 4.45Å; T135-L139 WeakPolarHBondContact O-CG 3.44Å; T135-L139 PolarHBondContact O-N 3.28Å; T135-L152 HydrophobicContact CG2-CD2 4.11Å; T135-L157 HydrophobicContact CG2-CD1 4.42Å; T135-L157 HydrophobicContact CG2-CD2 4.17Å; T135-L165 WeakPolarHBondContact OG1-CD1 3.49Å; T135-I167 HydrophobicContact CG2-CD1 4.46Å; T135-V210 HydrophobicContact CG2-CG2 3.78Å
136L98.7Very high97.1Very high0 Ų021.9 Ų21.90%012%0.119CC..Hα-helixtrans-66.5-39.1177.2-68.2171.6000112.2V132 Y133 L139 K140 I207 V210 M289 A303 L304 F309V132-L136 HydrophobicContact CG1-CD1 4.04Å; V132-L136 HydrophobicContact CG1-CG 4.31Å; V132-L136 WeakPolarHBondContact O-CG 3.29Å; V132-L136 PolarHBondContact O-N 3.4Å; Y133-L136 PolarHBondContact O-N 2.95Å; Y133-L136 VanDerWaalsContact O-N 3.16Å; L136-L139 PolarHBondContact O-N 2.95Å; L136-K140 PolarHBondContact O-N 3.24Å; L136-I207 HydrophobicContact CD2-CD1 3.9Å; L136-V210 HydrophobicContact CD2-CG1 4.24Å; L136-M289 HydrophobicContact CD1-CE 3.81Å; L136-M289 HydrophobicContact CD2-CE 3.76Å; L136-M289 HydrophobicContact CG-CE 4.26Å; L136-A303 HydrophobicContact CD1-CB 3.79Å; L136-A303 HydrophobicContact CD2-CB 3.93Å; L136-A303 HydrophobicContact CG-CB 4.47Å; L136-L304 HydrophobicContact CB-CD2 3.71Å; L136-L304 HydrophobicContact CB-CG 3.94Å; L136-F309 HydrophobicContact CD1-CD2 4.33Å; L136-F309 HydrophobicContact CD1-CE1 4.34Å; L136-F309 HydrophobicContact CD1-CE2 3.53Å; L136-F309 HydrophobicContact CD1-CZ 3.54Å
137K98.3Very high96.8Very high4 Ų416 Ų162%0.0179%0.092CC..Hα-helixtrans-59.6-47.8175-165.3169.364.2164.30110.5E82 N83 Y133 Q134 K140 Y141 L304 E317 E318E82-K137 WeakPolarHBondContact OE1-CE 3.48Å; E82-K137 IonicContact OE1-NZ 3.92Å; E82-K137 PolarHBondContact OE1-NZ 3.47Å; E82-K137 IonicContact OE2-NZ 2.65Å; E82-K137 PolarHBondContact OE2-NZ 3.06Å; N83-K137 WeakPolarHBondContact OD1-CE 3.19Å; Y133-K137 HydrophobicContact CE1-CD 4.26Å; Y133-K137 WeakPolarHBondContact O-CB 3.26Å; Y133-K137 PolarHBondContact O-N 3.5Å; Q134-K137 PolarHBondContact O-N 3.17Å; K137-K140 PolarHBondContact O-N 2.96Å; K137-Y141 PolarHBondContact O-N 3.14Å; K137-L304 HydrophobicContact CB-CD2 4.42Å; K137-E317 HydrophobicContact CD-CB 3.96Å; K137-E317 IonicContact NZ-OE2 3.95Å; K137-E317 PolarHBondContact NZ-OE2 2.67Å; K137-E318 HydrophobicContact CD-CG 4.46Å; K137-E318 HydrophobicContact CG-CG 4.42Å
138G98.2Very high96.5Very high0 Ų011.5 Ų11.50%07%0.072CC..Hα-helixtrans-62.3-40.9173.300000113.9Q134 T135 Y141 I142Q134-G138 PolarHBondContact O-N 3.23Å; T135-G138 PolarHBondContact O-N 3.27Å; G138-Y141 PolarHBondContact O-N 2.97Å; G138-I142 WeakPolarHBondContact O-CD1 3.34Å; G138-I142 VanDerWaalsContact O-CG1 3.29Å; G138-I142 WeakPolarHBondContact O-CG1 3.36Å; G138-I142 PolarHBondContact O-N 3.15Å
139L98.1Very high96.2Very high0 Ų011.4 Ų11.40%07%0.071CC..Hα-helixtrans-67.2-39.6176.9-76.7178.8000112.6T135 L136 Y141 I142 H143 H149 L152 I167 D206 I207 V210 A300T135-L139 HydrophobicContact CG2-CD1 4.45Å; T135-L139 WeakPolarHBondContact O-CG 3.44Å; T135-L139 PolarHBondContact O-N 3.28Å; L136-L139 PolarHBondContact O-N 2.95Å; L139-Y141 VanDerWaalsContact C-N 3.28Å; L139-Y141 PolarHBondContact O-N 2.91Å; L139-I142 HydrophobicContact CD2-CD1 4.43Å; L139-I142 PolarHBondContact O-N 3.07Å; L139-H143 WeakPolarHBondContact O-CB 3.41Å; L139-H143 PolarHBondContact O-CD2 3.23Å; L139-H143 PolarHBondContact O-N 3.38Å; L139-H149 HydrophobicContact CD2-CB 4.48Å; L139-L152 HydrophobicContact CD1-CD2 4.23Å; L139-I167 HydrophobicContact CD2-CD1 4.3Å; L139-I167 HydrophobicContact CG-CD1 4.17Å; L139-D206 HydrophobicContact CD1-CB 3.99Å; L139-D206 HydrophobicContact CD2-CB 3.93Å; L139-I207 HydrophobicContact CD1-CD1 4.32Å; L139-V210 HydrophobicContact CD1-CG2 3.49Å; L139-V210 VanDerWaalsContact CD1-CG2 3.49Å; L139-A300 HydrophobicContact CB-CB 4.14Å
140K98.1Very high95.6Very high26 Ų2611.1 Ų11.111%0.1137%0.07CC..Hα-helixtrans-53.3-49.2172.5175.4-177.9179.6-175.80110.5L136 K137 H143 S144 A300 V301 L304 E318L136-K140 PolarHBondContact O-N 3.24Å; K137-K140 PolarHBondContact O-N 2.96Å; K140-H143 PolarHBondContact O-N 3.33Å; K140-S144 WeakPolarHBondContact O-CB 3.29Å; K140-S144 PolarHBondContact O-N 2.91Å; K140-S144 PolarHBondContact O-OG 3.21Å; K140-A300 HydrophobicContact CB-CB 4.13Å; K140-V301 HydrophobicContact CD-CG2 4.11Å; K140-V301 HydrophobicContact CG-CG2 3.92Å; K140-L304 HydrophobicContact CB-CD1 4.06Å; K140-L304 HydrophobicContact CD-CD1 3.8Å; K140-E318 HydrophobicContact CD-CB 4.09Å; K140-E318 VanDerWaalsContact CE-O 3.26Å; K140-E318 WeakPolarHBondContact CE-O 3.47Å; K140-E318 PolarHBondContact NZ-O 3.46Å
141Y97.9Very high95.1Very high15 Ų1510.3 Ų10.36%0.0596%0.063CC..Hα-helixtrans-59.7-49.3177.4-175.1-87.7000111.9M79 K80 H81 V84 K137 G138 L139 H143 S144 A145 A321M79-Y141 HydrophobicContact SD-CD1 4Å; M79-Y141 HydrophobicContact SD-CE1 3.67Å; K80-Y141 PolarHBondContact N-OH 2.52Å; K80-Y141 PolarHBondContact O-OH 3.12Å; H81-Y141 HydrophobicContact CB-CD1 3.69Å; H81-Y141 HydrophobicContact CB-CD2 3.86Å; H81-Y141 HydrophobicContact CB-CE1 3.94Å; H81-Y141 HydrophobicContact CB-CE2 4.07Å; H81-Y141 HydrophobicContact CB-CG 3.66Å; H81-Y141 AromaticContact CD2-CD2 3.47Å; H81-Y141 VanDerWaalsContact CD2-CD2 3.47Å; H81-Y141 WeakPolarHBondContact CD2-CD2 3.33Å; H81-Y141 AromaticContact CD2-CG 3.63Å; H81-Y141 AromaticContact CG-CD2 3.92Å; H81-Y141 AromaticContact CG-CG 3.73Å; V84-Y141 HydrophobicContact CG2-CD1 4.36Å; K137-Y141 PolarHBondContact O-N 3.14Å; G138-Y141 PolarHBondContact O-N 2.97Å; L139-Y141 VanDerWaalsContact C-N 3.28Å; L139-Y141 PolarHBondContact O-N 2.91Å; Y141-H143 PolarHBondContact O-N 3.3Å; Y141-S144 PolarHBondContact O-N 2.93Å; Y141-S144 PolarHBondContact O-OG 2.72Å; Y141-A145 PolarHBondContact O-N 2.86Å; Y141-A321 HydrophobicContact CD1-CB 3.94Å; Y141-A321 HydrophobicContact CD2-CB 4.07Å; Y141-A321 HydrophobicContact CE1-CB 3.56Å; Y141-A321 VanDerWaalsContact CE2-CA 3.49Å; Y141-A321 HydrophobicContact CE2-CB 3.73Å; Y141-A321 HydrophobicContact CG-CB 4.16Å; Y141-A321 VanDerWaalsContact CZ-CB 3.44Å; Y141-A321 WeakPolarHBondContact O-CB 3.41Å
142I95.8Very high94.9Very high0 Ų010.3 Ų10.30%06%0.063CC..Hα-helixtrans-61.6-45.2179.6-66.8162.3000111.4M79 V84 G138 L139 A145 I147 I167 F170M79-I142 HydrophobicContact SD-CG1 4.33Å; V84-I142 HydrophobicContact CG1-CD1 4.31Å; V84-I142 HydrophobicContact CG1-CG1 4.35Å; V84-I142 HydrophobicContact CG2-CD1 3.88Å; V84-I142 HydrophobicContact CG2-CG1 3.89Å; G138-I142 WeakPolarHBondContact O-CD1 3.34Å; G138-I142 VanDerWaalsContact O-CG1 3.29Å; G138-I142 WeakPolarHBondContact O-CG1 3.36Å; G138-I142 PolarHBondContact O-N 3.15Å; L139-I142 HydrophobicContact CD2-CD1 4.43Å; L139-I142 PolarHBondContact O-N 3.07Å; I142-A145 WeakPolarHBondContact O-CB 3.46Å; I142-A145 PolarHBondContact O-N 3.36Å; I142-I147 HydrophobicContact CG2-CB 3.89Å; I142-I147 HydrophobicContact CG2-CG2 3.76Å; I142-I147 WeakPolarHBondContact CG2-O 3.34Å; I142-I147 PolarHBondContact O-N 3.38Å; I142-I167 HydrophobicContact CD1-CD1 3.96Å; I142-I167 HydrophobicContact CD1-CG2 4.24Å; I142-F170 HydrophobicContact CD1-CE1 3.77Å; I142-F170 HydrophobicContact CD1-CZ 3.83Å; I142-F170 HydrophobicContact CG1-CE1 4.01Å; I142-F170 HydrophobicContact CG1-CZ 4.13Å; I142-F170 HydrophobicContact CG2-CE1 4.24Å
143H95.6Very high94.6Very high12 Ų1212.2 Ų12.26%0.0567%0.071CC..Hα-helixtrans-66.2-38-178.3-71.3179.8000111.9L139 K140 Y141 A145 G146 I147 Q203 D206L139-H143 WeakPolarHBondContact O-CB 3.41Å; L139-H143 PolarHBondContact O-CD2 3.23Å; L139-H143 PolarHBondContact O-N 3.38Å; K140-H143 PolarHBondContact O-N 3.33Å; Y141-H143 PolarHBondContact O-N 3.3Å; H143-A145 PolarHBondContact O-N 3.26Å; H143-G146 WeakPolarHBondContact O-CA 3.49Å; H143-G146 PolarHBondContact O-N 2.89Å; H143-I147 PolarHBondContact CD2-O 3.33Å; H143-Q203 HydrophobicContact CB-CB 4.49Å; H143-Q203 PolarHBondContact CE1-O 3.47Å; H143-D206 IonicContact CD2-OD2 3.75Å; H143-D206 IonicContact CE1-OD2 2.97Å; H143-D206 IonicContact NE2-OD2 2.58Å; H143-D206 PolarHBondContact NE2-OD2 2.84Å
144S95.7Very high94.5Very high43 Ų4312 Ų1230%0.3017%0.071SC..Hα-helixtrans-63.7-22.7174.8690000113.8K140 Y141 G146 E320 A321K140-S144 WeakPolarHBondContact O-CB 3.29Å; K140-S144 PolarHBondContact O-N 2.91Å; K140-S144 PolarHBondContact O-OG 3.21Å; Y141-S144 PolarHBondContact O-N 2.93Å; Y141-S144 PolarHBondContact O-OG 2.72Å; S144-G146 PolarHBondContact O-N 3.37Å; S144-E320 WeakPolarHBondContact OG-CA 3.49Å; S144-A321 PolarHBondContact OG-N 2.93Å
145A92.6Very high94.1Very high7 Ų712.8 Ų12.86%0.0588%0.084CC..THydrogen-bonded Turntrans-81.52.6170.300000113.7Y141 I142 H143 I147 A321Y141-A145 PolarHBondContact O-N 2.86Å; I142-A145 WeakPolarHBondContact O-CB 3.46Å; I142-A145 PolarHBondContact O-N 3.36Å; H143-A145 PolarHBondContact O-N 3.26Å; A145-I147 VanDerWaalsContact C-N 3.3Å; A145-I147 HydrophobicContact CB-CD1 3.84Å; A145-I147 HydrophobicContact CB-CG1 4.35Å; A145-A321 HydrophobicContact CB-CB 3.72Å
146G90Very high93.9Very high38 Ų3813.1 Ų13.139%0.3929%0.085SC..THydrogen-bonded Turntrans73.619.7-175.200000113.8H143 S144H143-G146 WeakPolarHBondContact O-CA 3.49Å; H143-G146 PolarHBondContact O-N 2.89Å; S144-G146 PolarHBondContact O-N 3.37Å
147I90.5Very high93.8Very high3 Ų313.1 Ų13.12%0.0159%0.086CC..  trans-105138.8-177.1-66.1157.9000109.6L75 M79 I142 H143 A145 A173 Y324L75-I147 HydrophobicContact CD2-CD1 3.3Å; L75-I147 HydrophobicContact CD2-CG1 4.13Å; M79-I147 HydrophobicContact CE-CD1 3.27Å; I142-I147 HydrophobicContact CG2-CB 3.89Å; I142-I147 HydrophobicContact CG2-CG2 3.76Å; I142-I147 WeakPolarHBondContact CG2-O 3.34Å; I142-I147 PolarHBondContact O-N 3.38Å; H143-I147 PolarHBondContact CD2-O 3.33Å; A145-I147 VanDerWaalsContact C-N 3.3Å; A145-I147 HydrophobicContact CB-CD1 3.84Å; A145-I147 HydrophobicContact CB-CG1 4.35Å; I147-A173 HydrophobicContact CG2-CB 3.86Å; I147-Y324 HydrophobicContact CD1-CD1 3.95Å; I147-Y324 HydrophobicContact CD1-CD2 4.25Å; I147-Y324 HydrophobicContact CD1-CG 3.74Å; I147-Y324 HydrophobicContact CG1-CD1 4.17Å; I147-Y324 HydrophobicContact CG1-CG 4.4Å
148I90.6Very high93.7Very high4 Ų413.9 Ų13.92%0.0219%0.09CC..BIsolated β-bridgetrans-113.3133.1172.7-50.9-177000108.5R150 A173 R174 A176 Q203 V205 D206I148-R150 HydrophobicContact CB-CG 3.94Å; I148-R150 HydrophobicContact CG2-CG 3.47Å; I148-R150 VanDerWaalsContact CG2-CG 3.47Å; I148-A173 VanDerWaalsContact O-CA 3.23Å; I148-A173 WeakPolarHBondContact O-CA 3.43Å; I148-A173 WeakPolarHBondContact O-CB 3.36Å; I148-R174 PolarHBondContact N-O 2.94Å; I148-R174 PolarHBondContact O-N 3.37Å; I148-A176 HydrophobicContact CD1-CB 3.91Å; I148-Q203 HydrophobicContact CD1-CB 4.46Å; I148-Q203 HydrophobicContact CG1-CB 4.3Å; I148-V205 HydrophobicContact CG2-CG2 3.47Å; I148-V205 VanDerWaalsContact CG2-CG2 3.47Å; I148-D206 WeakPolarHBondContact CG2-OD2 3.47Å
149H91.5Very high93.6Very high0 Ų014 Ų140%09%0.091CC..  trans-71.6-44.8-176.8-174.7-72000112.2L139 D151 L152 L168 D206L139-H149 HydrophobicContact CD2-CB 4.48Å; H149-D151 VanDerWaalsContact CE1-C 3.43Å; H149-D151 PolarHBondContact CE1-O 3.43Å; H149-D151 VanDerWaalsContact ND1-C 3.32Å; H149-D151 PolarHBondContact ND1-N 2.79Å; H149-D151 PolarHBondContact O-N 3.48Å; H149-L152 PolarHBondContact ND1-N 3.34Å; H149-L152 VanDerWaalsContact ND1-N 3.11Å; H149-L168 PolarHBondContact NE2-O 2.85Å; H149-D206 WeakPolarHBondContact CB-OD1 3.24Å; H149-D206 WeakPolarHBondContact CB-OD2 3.41Å; H149-D206 PolarHBondContact N-OD2 3.32Å
150R86.9Confident93.4Very high19 Ų1915.9 Ų15.97%0.07210%0.101CC..  trans65-16.7173.8-58.2-175.2177-164.1-4.9117.5I148 R174 Q175 A176 T178 Y201 D206I148-R150 HydrophobicContact CB-CG 3.94Å; I148-R150 HydrophobicContact CG2-CG 3.47Å; I148-R150 VanDerWaalsContact CG2-CG 3.47Å; R150-R174 VanDerWaalsContact CZ-CG 3.48Å; R150-R174 VanDerWaalsContact NH1-CG 3.32Å; R150-Q175 PolarHBondContact NH2-O 3.02Å; R150-A176 VanDerWaalsContact NH2-CA 3.32Å; R150-A176 PolarHBondContact NH2-O 3.21Å; R150-T178 PolarHBondContact NH1-O 3.33Å; R150-Y201 VanDerWaalsContact NH1-CE2 3.32Å; R150-Y201 VanDerWaalsContact NH1-CZ 3.33Å; R150-Y201 PolarHBondContact NH1-OH 3.25Å; R150-Y201 VanDerWaalsContact NH2-CE2 3.27Å; R150-D206 PolarHBondContact N-OD1 3.34Å
151D86.6Confident93Very high10 Ų1023.6 Ų23.65%0.05314%0.137CC..  trans-12737.9176.1-162.651.6000112.4H149 K153 N156 L172 R190H149-D151 VanDerWaalsContact CE1-C 3.43Å; H149-D151 PolarHBondContact CE1-O 3.43Å; H149-D151 VanDerWaalsContact ND1-C 3.32Å; H149-D151 PolarHBondContact ND1-N 2.79Å; H149-D151 PolarHBondContact O-N 3.48Å; D151-K153 PolarHBondContact O-N 2.9Å; D151-K153 IonicContact OD1-NZ 2.72Å; D151-K153 IonicContact OD2-NZ 3.52Å; D151-K153 PolarHBondContact OD2-NZ 3.41Å; D151-N156 PolarHBondContact O-ND2 3.18Å; D151-L172 HydrophobicContact CB-CD1 3.91Å; D151-R190 IonicContact OD1-NH2 2.61Å
152L93.2Very high92.6Very high3 Ų328.7 Ų28.72%0.01617%0.166CC..  trans-70127.6180-161.178.3000109.7T135 L139 H149 L157 I167 Y189 V210 I213T135-L152 HydrophobicContact CG2-CD2 4.11Å; L139-L152 HydrophobicContact CD1-CD2 4.23Å; H149-L152 PolarHBondContact ND1-N 3.34Å; H149-L152 VanDerWaalsContact ND1-N 3.11Å; L152-L157 HydrophobicContact CD1-CD2 3.92Å; L152-I167 HydrophobicContact CD1-CG2 3.95Å; L152-Y189 WeakPolarHBondContact O-CB 3.41Å; L152-V210 HydrophobicContact CD2-CG2 3.52Å; L152-I213 HydrophobicContact CD2-CD1 4.05Å; L152-I213 HydrophobicContact CG-CD1 4.02Å
153K93.3Very high92.5Very high41 Ų4130.3 Ų30.318%0.17818%0.177CC..  trans-158.7163.3-178.665.9-163.5178.2-150.60109.2D151 G155 N156 Y189D151-K153 PolarHBondContact O-N 2.9Å; D151-K153 IonicContact OD1-NZ 2.72Å; D151-K153 IonicContact OD2-NZ 3.52Å; D151-K153 PolarHBondContact OD2-NZ 3.41Å; K153-G155 PolarHBondContact O-N 2.9Å; K153-N156 WeakPolarHBondContact CE-ND2 3.29Å; K153-N156 HydrophobicContact CG-CB 4.24Å; K153-N156 PolarHBondContact O-N 3.12Å; K153-Y189 HydrophobicContact CB-CD2 3.54Å; K153-Y189 HydrophobicContact CB-CE2 3.94Å; K153-Y189 HydrophobicContact CB-CG 4.1Å
154P95.3Very high92.5Very high4 Ų434.7 Ų34.73%0.02620%0.197CC..G310 helixtrans-57.4-29.8-177.5-26.935.8000114.5L114 G115 M118 N156 L157 Y189 I213L114-P154 HydrophobicContact CB-CB 4.25Å; L114-P154 WeakPolarHBondContact CB-O 3.34Å; L114-P154 HydrophobicContact CG-CB 4.41Å; L114-P154 PolarHBondContact N-O 2.98Å; G115-P154 PolarHBondContact N-O 2.71Å; M118-P154 HydrophobicContact CE-CB 3.54Å; M118-P154 HydrophobicContact CE-CG 3.59Å; P154-N156 PolarHBondContact O-N 3.26Å; P154-L157 PolarHBondContact O-N 3.39Å; P154-Y189 VanDerWaalsContact CD-CE1 3.49Å; P154-Y189 HydrophobicContact CG-CE1 3.81Å; P154-Y189 HydrophobicContact CG-CE2 4.41Å; P154-I213 HydrophobicContact CG-CG1 4.15Å; P154-I213 HydrophobicContact CG-CG2 4.47Å
155G91.6Very high92.6Very high34 Ų3432.7 Ų32.735%0.35118%0.183SC..G310 helixtrans-70.8-16.2175.900000114.8K153K153-G155 PolarHBondContact O-N 2.9Å
156N93.9Very high92.8Very high12 Ų1234.1 Ų34.16%0.06419%0.188CC..G310 helixtrans-100.45.6177.3-70.4-7000112.2D151 K153 P154 L168D151-N156 PolarHBondContact O-ND2 3.18Å; K153-N156 WeakPolarHBondContact CE-ND2 3.29Å; K153-N156 HydrophobicContact CG-CB 4.24Å; K153-N156 PolarHBondContact O-N 3.12Å; P154-N156 PolarHBondContact O-N 3.26Å; N156-L168 WeakPolarHBondContact O-CB 3.48Å; N156-L168 PolarHBondContact O-N 2.89Å
157L96.6Very high93.2Very high1 Ų132.3 Ų32.31%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-112.4110.7172.7-60.8179.8000107.5D113 L114 T135 L152 P154 L165 I167 I213D113-L157 CarbonylContact C-O 3.44Å; D113-L157 WeakPolarHBondContact CA-O 3.44Å; L114-L157 HydrophobicContact CB-CB 4.02Å; L114-L157 HydrophobicContact CD2-CB 4.34Å; L114-L157 HydrophobicContact CD2-CD1 3.77Å; L114-L157 PolarHBondContact N-O 2.97Å; T135-L157 HydrophobicContact CG2-CD1 4.42Å; T135-L157 HydrophobicContact CG2-CD2 4.17Å; L152-L157 HydrophobicContact CD1-CD2 3.92Å; P154-L157 PolarHBondContact O-N 3.39Å; L157-L165 HydrophobicContact CB-CD1 4.12Å; L157-L165 HydrophobicContact CD1-CD1 4.39Å; L157-L165 HydrophobicContact CD2-CD1 4.47Å; L157-L165 HydrophobicContact CD2-CD2 4.24Å; L157-I167 HydrophobicContact CD2-CB 4.43Å; L157-I167 HydrophobicContact CD2-CG1 3.8Å; L157-I213 HydrophobicContact CD1-CD1 3.95Å; L157-I213 HydrophobicContact CD1-CG2 4.09Å
158V95.8Very high93.2Very high19 Ų1934.1 Ų34.112%0.11518%0.179CC..EExtended strand (participates in β ladder)trans-100.8144176.8-71.70000111.5M110 T112 D113 L165 K166 L168M110-V158 HydrophobicContact CB-CB 3.68Å; M110-V158 HydrophobicContact CB-CG2 3.58Å; M110-V158 HydrophobicContact CG-CB 4.22Å; M110-V158 HydrophobicContact CG-CG2 3.53Å; T112-V158 CarbonylContact O-C 3.55Å; T112-V158 VanDerWaalsContact O-CA 3.25Å; T112-V158 WeakPolarHBondContact O-CA 3.24Å; T112-V158 WeakPolarHBondContact O-CB 3.47Å; D113-V158 HydrophobicContact CB-CG1 4.21Å; V158-L165 CarbonylContact O-C 3.58Å; V158-L165 VanDerWaalsContact O-CA 3.27Å; V158-L165 WeakPolarHBondContact O-CA 3.45Å; V158-K166 HydrophobicContact CG2-CB 4.05Å; V158-K166 VanDerWaalsContact CG2-O 3.3Å; V158-K166 WeakPolarHBondContact CG2-O 3.33Å; V158-K166 PolarHBondContact N-O 3.16Å; V158-K166 PolarHBondContact O-N 3.45Å; V158-L168 HydrophobicContact CB-CD1 4.35Å; V158-L168 HydrophobicContact CB-CG 4.42Å; V158-L168 HydrophobicContact CG1-CD1 3.37Å; V158-L168 HydrophobicContact CG1-CD2 4.47Å; V158-L168 HydrophobicContact CG1-CG 3.91Å; V158-L168 HydrophobicContact CG2-CD1 4.1Å; V158-L168 HydrophobicContact CG2-CD2 3.62Å; V158-L168 HydrophobicContact CG2-CG 3.77Å
159V96.2Very high92.6Very high3 Ų335.7 Ų35.72%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-139.3133.7-169.7-640000110.6M110 T112 L117 L131 E164 L165M110-V159 CarbonylContact O-C 3.59Å; T112-V159 HydrophobicContact CG2-CG2 3.78Å; T112-V159 PolarHBondContact N-O 3.41Å; T112-V159 PolarHBondContact O-N 2.72Å; L117-V159 HydrophobicContact CB-CG2 4.4Å; L117-V159 HydrophobicContact CD2-CG2 3.78Å; L131-V159 HydrophobicContact CD2-CG1 3.71Å; V159-E164 VanDerWaalsContact CA-O 3.26Å; V159-E164 WeakPolarHBondContact CA-O 3.44Å; V159-L165 HydrophobicContact CG1-CB 4.11Å; V159-L165 HydrophobicContact CG1-CD1 4.03Å; V159-L165 HydrophobicContact CG1-CG 4.19Å
160N93.2Very high91.4Very high39 Ų3935.7 Ų35.721%0.20919%0.188CC..  trans-95.7-174.1176.571.67.1000112.5M110 D162 C163 E164M110-N160 HydrophobicContact CE-CB 4.16Å; M110-N160 WeakPolarHBondContact O-CA 3.32Å; M110-N160 WeakPolarHBondContact O-CB 3.32Å; M110-N160 PolarHBondContact O-N 3.07Å; N160-D162 PolarHBondContact O-N 3.11Å; N160-D162 PolarHBondContact OD1-N 3.18Å; N160-D162 VanDerWaalsContact OD1-N 3.16Å; N160-C163 PolarHBondContact O-N 3.2Å; N160-C163 PolarHBondContact OD1-N 3.34Å; N160-E164 PolarHBondContact N-O 3.17Å; N160-E164 VanDerWaalsContact N-O 3.13Å; N160-E164 PolarHBondContact ND2-OE2 3.22Å; N160-E164 WeakPolarHBondContact OD1-CB 3.31Å; N160-E164 PolarHBondContact OD1-N 2.73Å
161Q89.6Confident90.1Very high188 Ų18834.8 Ų34.888%0.87918%0.184SC*.THydrogen-bonded Turntrans-67.7-28.3-176.4-65.4-178.3-4.200112.4C163Q161-C163 PolarHBondContact O-N 2.96Å
162D91Very high88.9Confident122 Ų12237.1 Ų37.165%0.65220%0.196SC*.THydrogen-bonded Turntrans-85.28179.5-51.3-58000112.8N160 E164N160-D162 PolarHBondContact O-N 3.11Å; N160-D162 PolarHBondContact OD1-N 3.18Å; N160-D162 VanDerWaalsContact OD1-N 3.16Å; D162-E164 HydrophobicContact CB-CG 4.3Å; D162-E164 PolarHBondContact O-N 2.93Å
163C92.6Very high87.2Confident35 Ų3537 Ų3724%0.23620%0.196CC..  trans62.122.6-175.3-60.20000114.3Q134 N160 Q161Q134-C163 PolarHBondContact NE2-O 2.86Å; N160-C163 PolarHBondContact O-N 3.2Å; N160-C163 PolarHBondContact OD1-N 3.34Å; Q161-C163 PolarHBondContact O-N 2.96Å
164E95.6Very high85.7Confident103 Ų10337.1 Ų37.148%0.48120%0.195SC..  trans-74.8134.1168.3-55.3178.315000109.7M110 V159 N160 D162M110-E164 HydrophobicContact CE-CB 4.15Å; M110-E164 WeakPolarHBondContact CE-O 3.48Å; V159-E164 VanDerWaalsContact CA-O 3.26Å; V159-E164 WeakPolarHBondContact CA-O 3.44Å; N160-E164 PolarHBondContact N-O 3.17Å; N160-E164 VanDerWaalsContact N-O 3.13Å; N160-E164 PolarHBondContact ND2-OE2 3.22Å; N160-E164 WeakPolarHBondContact OD1-CB 3.31Å; N160-E164 PolarHBondContact OD1-N 2.73Å; D162-E164 HydrophobicContact CB-CG 4.3Å; D162-E164 PolarHBondContact O-N 2.93Å
165L97.7Very high83.7Confident1 Ų139.9 Ų39.91%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-114.2139.4-176.3178.4149000111.2N83 L131 Q134 T135 L157 V158 V159 I167N83-L165 VanDerWaalsContact CA-O 3.26Å; N83-L165 WeakPolarHBondContact CA-O 3.26Å; N83-L165 PolarHBondContact ND2-O 3.48Å; L131-L165 HydrophobicContact CB-CD1 4.37Å; L131-L165 HydrophobicContact CD2-CB 4.13Å; L131-L165 HydrophobicContact CD2-CD1 3.96Å; Q134-L165 HydrophobicContact CB-CB 4.06Å; Q134-L165 HydrophobicContact CB-CD2 4.36Å; T135-L165 WeakPolarHBondContact OG1-CD1 3.49Å; L157-L165 HydrophobicContact CB-CD1 4.12Å; L157-L165 HydrophobicContact CD1-CD1 4.39Å; L157-L165 HydrophobicContact CD2-CD1 4.47Å; L157-L165 HydrophobicContact CD2-CD2 4.24Å; V158-L165 CarbonylContact O-C 3.58Å; V158-L165 VanDerWaalsContact O-CA 3.27Å; V158-L165 WeakPolarHBondContact O-CA 3.45Å; V159-L165 HydrophobicContact CG1-CB 4.11Å; V159-L165 HydrophobicContact CG1-CD1 4.03Å; V159-L165 HydrophobicContact CG1-CG 4.19Å; L165-I167 HydrophobicContact CD2-CG1 4.22Å
166K97.9Very high81.7Confident37 Ų3740 Ų4016%0.16121%0.205CC..EExtended strand (participates in β ladder)trans-128.5135.8166.1-66.4-177.4-168.9-69.80111.5E82 N83 I85 M110 V158E82-K166 WeakPolarHBondContact O-CG 3.49Å; E82-K166 PolarHBondContact O-NZ 3.3Å; N83-K166 WeakPolarHBondContact O-CA 3.47Å; I85-K166 HydrophobicContact CD1-CB 4.34Å; I85-K166 HydrophobicContact CD1-CD 3.77Å; M110-K166 HydrophobicContact CE-CB 4.46Å; M110-K166 HydrophobicContact CE-CD 4.25Å; M110-K166 HydrophobicContact CE-CG 3.97Å; M110-K166 HydrophobicContact CG-CB 4.46Å; M110-K166 HydrophobicContact CG-CD 4.15Å; M110-K166 HydrophobicContact CG-CG 4.49Å; M110-K166 HydrophobicContact SD-CD 3.68Å; M110-K166 HydrophobicContact SD-CG 4.07Å; V158-K166 HydrophobicContact CG2-CB 4.05Å; V158-K166 VanDerWaalsContact CG2-O 3.3Å; V158-K166 WeakPolarHBondContact CG2-O 3.33Å; V158-K166 PolarHBondContact N-O 3.16Å; V158-K166 PolarHBondContact O-N 3.45Å
167I97.4Very high79.5Confident0 Ų046.1 Ų46.10%024%0.238CC..EExtended strand (participates in β ladder)trans-76.9132.4172.3-58.6169.7000109.6N83 I85 T135 L139 I142 L152 L157 L165N83-I167 WeakPolarHBondContact O-CG1 2.99Å; N83-I167 PolarHBondContact O-N 3.25Å; I85-I167 WeakPolarHBondContact CB-O 3.27Å; I85-I167 VanDerWaalsContact CG2-O 3.24Å; I85-I167 WeakPolarHBondContact CG2-O 3.47Å; I85-I167 PolarHBondContact N-O 2.89Å; T135-I167 HydrophobicContact CG2-CD1 4.46Å; L139-I167 HydrophobicContact CD2-CD1 4.3Å; L139-I167 HydrophobicContact CG-CD1 4.17Å; I142-I167 HydrophobicContact CD1-CD1 3.96Å; I142-I167 HydrophobicContact CD1-CG2 4.24Å; L152-I167 HydrophobicContact CD1-CG2 3.95Å; L157-I167 HydrophobicContact CD2-CB 4.43Å; L157-I167 HydrophobicContact CD2-CG1 3.8Å; L165-I167 HydrophobicContact CD2-CG1 4.22Å
168L90.9Very high77.1Confident42 Ų4248.3 Ų48.322%0.2225%0.251CS..  trans-111.3169.3179.9-60.6-166.9000113.6I85 H149 N156 V158I85-L168 HydrophobicContact CB-CD2 3.59Å; I85-L168 HydrophobicContact CD1-CD2 3.96Å; I85-L168 HydrophobicContact CG1-CD2 3.67Å; I85-L168 HydrophobicContact CG2-CD2 3.73Å; H149-L168 PolarHBondContact NE2-O 2.85Å; N156-L168 WeakPolarHBondContact O-CB 3.48Å; N156-L168 PolarHBondContact O-N 2.89Å; V158-L168 HydrophobicContact CB-CD1 4.35Å; V158-L168 HydrophobicContact CB-CG 4.42Å; V158-L168 HydrophobicContact CG1-CD1 3.37Å; V158-L168 HydrophobicContact CG1-CD2 4.47Å; V158-L168 HydrophobicContact CG1-CG 3.91Å; V158-L168 HydrophobicContact CG2-CD1 4.1Å; V158-L168 HydrophobicContact CG2-CD2 3.62Å; V158-L168 HydrophobicContact CG2-CG 3.77Å
169D77.3Confident74.6Confident36 Ų3654.6 Ų54.619%0.19328%0.279CS..  trans62.772.4161.9-161.75.3000115.9G171D169-G171 PolarHBondContact O-N 3.47Å; D169-G171 PolarHBondContact OD1-N 2.8Å; D169-G171 VanDerWaalsContact OD1-N 3.11Å
170F67.3Low72.2Confident1 Ų157.1 Ų57.10%0.00429%0.292CS..G310 helixtrans-75.68.6168.2-64.4-74.6000114.4L75 L76 M79 V84 I85 I142 L172 A173L75-F170 HydrophobicContact CB-CB 3.97Å; L75-F170 HydrophobicContact CB-CG 4.18Å; L75-F170 HydrophobicContact CD1-CB 3.62Å; L75-F170 HydrophobicContact CD1-CG 4.31Å; L75-F170 HydrophobicContact CG-CB 4.41Å; L76-F170 HydrophobicContact CD2-CD2 4.3Å; M79-F170 HydrophobicContact CE-CE1 4.44Å; M79-F170 HydrophobicContact CG-CE2 4.07Å; M79-F170 HydrophobicContact CG-CZ 4.01Å; V84-F170 HydrophobicContact CG1-CE2 3.7Å; V84-F170 HydrophobicContact CG1-CZ 3.37Å; I85-F170 HydrophobicContact CG2-CE2 4.28Å; I142-F170 HydrophobicContact CD1-CE1 3.77Å; I142-F170 HydrophobicContact CD1-CZ 3.83Å; I142-F170 HydrophobicContact CG1-CE1 4.01Å; I142-F170 HydrophobicContact CG1-CZ 4.13Å; I142-F170 HydrophobicContact CG2-CE1 4.24Å; F170-L172 PolarHBondContact O-N 2.84Å; F170-A173 HydrophobicContact CB-CB 4.01Å; F170-A173 HydrophobicContact CD1-CB 3.86Å; F170-A173 HydrophobicContact CG-CB 4.47Å; F170-A173 WeakPolarHBondContact O-CB 3.15Å; F170-A173 PolarHBondContact O-N 2.89Å
171G58.4Low69.6Low0 Ų061.8 Ų61.80%032%0.322CS..G310 helixtrans-63.7-16.6-174.200000114.3R68 D169R68-G171 WeakPolarHBondContact CG-O 3.32Å; R68-G171 PolarHBondContact NE-O 3.33Å; D169-G171 PolarHBondContact O-N 3.47Å; D169-G171 PolarHBondContact OD1-N 2.8Å; D169-G171 VanDerWaalsContact OD1-N 3.11Å
172L61.9Low67.1Low59 Ų5955.2 Ų55.231%0.30930%0.304SS..G310 helixtrans-1140.1173.4-63177.2000113.2D151 F170D151-L172 HydrophobicContact CB-CD1 3.91Å; F170-L172 PolarHBondContact O-N 2.84Å
173A57.2Low64.7Low0 Ų059.5 Ų59.50%031%0.313CS..  trans-69.8143.6179.800000110.7R71 L75 I147 I148 F170R71-A173 WeakPolarHBondContact CD-O 3.35Å; L75-A173 HydrophobicContact CD1-CB 4.05Å; I147-A173 HydrophobicContact CG2-CB 3.86Å; I148-A173 VanDerWaalsContact O-CA 3.23Å; I148-A173 WeakPolarHBondContact O-CA 3.43Å; I148-A173 WeakPolarHBondContact O-CB 3.36Å; F170-A173 HydrophobicContact CB-CB 4.01Å; F170-A173 HydrophobicContact CD1-CB 3.86Å; F170-A173 HydrophobicContact CG-CB 4.47Å; F170-A173 WeakPolarHBondContact O-CB 3.15Å; F170-A173 PolarHBondContact O-N 2.89Å
174R61.9Low62.3Low43 Ų4362.6 Ų62.616%0.16233%0.331CS..BIsolated β-bridgetrans-163.1167.1-175.548.2-177.3168156.118.3109.9I148 R150 T178 E179 Y201I148-R174 PolarHBondContact N-O 2.94Å; I148-R174 PolarHBondContact O-N 3.37Å; R150-R174 VanDerWaalsContact CZ-CG 3.48Å; R150-R174 VanDerWaalsContact NH1-CG 3.32Å; R174-T178 VanDerWaalsContact CZ-O 3.27Å; R174-T178 PolarHBondContact NH1-O 2.8Å; R174-E179 VanDerWaalsContact NH1-C 3.25Å; R174-E179 PolarHBondContact NH1-O 3.28Å; R174-Y201 PolarHBondContact NH2-OH 2.96Å
175Q55Low60.6Low62 Ų6260.5 Ų60.529%0.2932%0.324SS..  trans-67.9163.1173.2-71.6-168.3-18.300111.8R150 D177 T178 N326R150-Q175 PolarHBondContact NH2-O 3.02Å; Q175-D177 PolarHBondContact O-N 2.65Å; Q175-D177 VanDerWaalsContact O-N 3.13Å; Q175-T178 PolarHBondContact O-OG1 3.39Å; Q175-N326 HydrophobicContact CG-CB 4.5Å; Q175-N326 PolarHBondContact NE2-ND2 3.03Å; Q175-N326 PolarHBondContact OE1-ND2 2.9Å
176A49.1Very low59.1Low37 Ų3763.7 Ų63.731%0.30634%0.344SS..THydrogen-bonded Turntrans-49.5-37.4-176.300000114.3I148 R150 T178I148-A176 HydrophobicContact CD1-CB 3.91Å; R150-A176 VanDerWaalsContact NH2-CA 3.32Å; R150-A176 PolarHBondContact NH2-O 3.21Å; A176-T178 PolarHBondContact O-N 3.34Å
177D47.4Very low58.3Low140 Ų14065.4 Ų65.475%0.74935%0.35SS*.THydrogen-bonded Turntrans-93.16.7-162.2-59.3-29.8000116.8Q175Q175-D177 PolarHBondContact O-N 2.65Å; Q175-D177 VanDerWaalsContact O-N 3.13Å
178T46.6Very low58.1Low47 Ų4768.9 Ų68.929%0.28836%0.363SS..PPolyproline II helixtrans-97127.3-176.7-2.90000114.2R150 R174 Q175 A176 Y201R150-T178 PolarHBondContact NH1-O 3.33Å; R174-T178 VanDerWaalsContact CZ-O 3.27Å; R174-T178 PolarHBondContact NH1-O 2.8Å; Q175-T178 PolarHBondContact O-OG1 3.39Å; A176-T178 PolarHBondContact O-N 3.34Å; T178-Y201 PolarHBondContact O-OH 3.32Å
179E42.6Very low58.3Low151 Ų15167.9 Ų67.971%0.70636%0.356SS*.PPolyproline II helixtrans-70.9152-179.1-69.6-169.716000115.5R174R174-E179 VanDerWaalsContact NH1-C 3.25Å; R174-E179 PolarHBondContact NH1-O 3.28Å
180M44.8Very low59Low57 Ų5767.6 Ų67.628%0.28135%0.352SS..PPolyproline II helixtrans-92.7136.8-175.3-170177.961.300113.9V194M180-V194 HydrophobicContact CE-CG1 4.49Å; M180-V194 WeakPolarHBondContact CE-O 3.39Å; M180-V194 HydrophobicContact SD-CG1 4.2Å
181T38.8Very low60.1Low137 Ų13767.6 Ų67.684%0.8435%0.353SS*.  trans-82.2110.4157.155.70000109.6Y183T181-Y183 PolarHBondContact O-N 2.88Å
182G37.3Very low61.6Low49 Ų4967.6 Ų67.651%0.50535%0.353SS..  trans-77.9106.2-178.500000112.6
183Y40.7Very low62.8Low212 Ų21264.8 Ų64.883%0.83134%0.338SS*.  trans-158.6129.2155.8-112.2-87.5000112.6T181T181-Y183 PolarHBondContact O-N 2.88Å
184V42.6Very low64Low101 Ų10165.2 Ų65.261%0.61234%0.341SS*.  trans34.992.9158.1-170.40000120.4
185V60Low64.7Low58 Ų5864.3 Ų64.335%0.35234%0.339SS..SBendtrans-147170.1150.5-172.70000107.6R187V185-R187 WeakPolarHBondContact O-CG 3.24Å; V185-R187 PolarHBondContact O-N 2.75Å; V185-R187 PolarHBondContact O-NH1 3.2Å
186T65.6Low65.5Low69 Ų6963.7 Ų63.742%0.42334%0.337SS..  trans-48.2120.6169.8-51.50000111.6W188 Y189T186-W188 HydrophobicContact CG2-CB 4.17Å; T186-W188 HydrophobicContact CG2-CD2 3.65Å; T186-W188 HydrophobicContact CG2-CE3 3.89Å; T186-W188 HydrophobicContact CG2-CG 3.79Å; T186-Y189 HydrophobicContact CG2-CE2 4.44Å
187R81.6Confident66.6Low73 Ų7365.7 Ų65.728%0.27534%0.343SS..  trans-99-3.2-175.7-65175.5179.178.2-9.3114.3V185 Y189 R190V185-R187 WeakPolarHBondContact O-CG 3.24Å; V185-R187 PolarHBondContact O-N 2.75Å; V185-R187 PolarHBondContact O-NH1 3.2Å; R187-Y189 PolarHBondContact O-N 3.06Å; R187-R190 WeakPolarHBondContact O-CB 3.46Å; R187-R190 PolarHBondContact O-N 2.99Å
188W93.1Very high67.6Low72 Ų7259.2 Ų59.227%0.27331%0.308SS..THydrogen-bonded Turntrans-59-23.7-166.9-58.6-16.5000115.3T186 P222 F224 K225 G226T186-W188 HydrophobicContact CG2-CB 4.17Å; T186-W188 HydrophobicContact CG2-CD2 3.65Å; T186-W188 HydrophobicContact CG2-CE3 3.89Å; T186-W188 HydrophobicContact CG2-CG 3.79Å; W188-P222 HydrophobicContact CD2-CB 4.47Å; W188-P222 HydrophobicContact CE3-CB 3.82Å; W188-P222 HydrophobicContact CE3-CG 3.67Å; W188-P222 HydrophobicContact CZ3-CB 4.32Å; W188-P222 HydrophobicContact CZ3-CG 3.7Å; W188-F224 WeakPolarHBondContact CA-O 3.32Å; W188-F224 WeakPolarHBondContact CB-O 3.45Å; W188-F224 VanDerWaalsContact CG-O 3.28Å; W188-K225 HydrophobicContact CD2-CG 4.23Å; W188-K225 HydrophobicContact CH2-CD 4.28Å; W188-K225 HydrophobicContact CH2-CG 4.11Å; W188-K225 HydrophobicContact CZ2-CD 4.12Å; W188-K225 HydrophobicContact CZ2-CG 3.56Å; W188-G226 PolarHBondContact NE1-O 2.86Å
189Y94.6Very high68.6Low22 Ų2258 Ų589%0.08630%0.299CS..THydrogen-bonded Turntrans-108.2-0.3-178.6-48.2-82.8000113L152 K153 P154 T186 R187 S209 C212 I213 E216L152-Y189 WeakPolarHBondContact O-CB 3.41Å; K153-Y189 HydrophobicContact CB-CD2 3.54Å; K153-Y189 HydrophobicContact CB-CE2 3.94Å; K153-Y189 HydrophobicContact CB-CG 4.1Å; P154-Y189 VanDerWaalsContact CD-CE1 3.49Å; P154-Y189 HydrophobicContact CG-CE1 3.81Å; P154-Y189 HydrophobicContact CG-CE2 4.41Å; T186-Y189 HydrophobicContact CG2-CE2 4.44Å; R187-Y189 PolarHBondContact O-N 3.06Å; Y189-S209 VanDerWaalsContact O-CA 3.31Å; Y189-S209 WeakPolarHBondContact O-CA 3.48Å; Y189-S209 VanDerWaalsContact O-CB 3.32Å; Y189-S209 WeakPolarHBondContact O-CB 3.32Å; Y189-S209 PolarHBondContact O-OG 3.46Å; Y189-C212 HydrophobicContact CD1-CB 3.78Å; Y189-I213 HydrophobicContact CD1-CG1 3.74Å; Y189-I213 HydrophobicContact CE1-CG1 4.07Å; Y189-E216 WeakPolarHBondContact CE1-OE2 3.37Å; Y189-E216 VanDerWaalsContact CZ-OE2 3.22Å; Y189-E216 PolarHBondContact OH-OE2 3.12Å
190R91.4Very high69.9Low29 Ų2957.7 Ų57.711%0.10930%0.298CS..SBendtrans-77.8139.9-178.7-65.9-176.2-178.1-174.5-3.4110.2D151 R187 I195 W208D151-R190 IonicContact OD1-NH2 2.61Å; R187-R190 WeakPolarHBondContact O-CB 3.46Å; R187-R190 PolarHBondContact O-N 2.99Å; R190-I195 HydrophobicContact CB-CD1 4.17Å; R190-I195 HydrophobicContact CB-CG1 3.91Å; R190-I195 WeakPolarHBondContact O-CD1 3.46Å; R190-W208 PolarHBondContact O-NE1 3.34Å; R190-W208 VanDerWaalsContact O-NE1 3.16Å
191A92.2Very high71.3Confident1 Ų155.7 Ų55.71%0.00829%0.287CS..  trans-63.5146.3173.600000111.3E193 V194 I195 V205 W208A191-E193 VanDerWaalsContact CB-CD 3.43Å; A191-E193 HydrophobicContact CB-CG 4.3Å; A191-E193 VanDerWaalsContact CB-OE1 3.32Å; A191-E193 WeakPolarHBondContact CB-OE1 3.27Å; A191-E193 WeakPolarHBondContact CB-OE2 3.47Å; A191-E193 PolarHBondContact O-N 3.32Å; A191-V194 HydrophobicContact CB-CG2 4.29Å; A191-V194 WeakPolarHBondContact O-CB 3.45Å; A191-V194 PolarHBondContact O-N 3.33Å; A191-I195 PolarHBondContact O-N 3.02Å; A191-I195 VanDerWaalsContact O-N 3.16Å; A191-V205 HydrophobicContact CB-CB 4.01Å; A191-V205 HydrophobicContact CB-CG1 4.11Å; A191-W208 HydrophobicContact CB-CB 3.75Å; A191-W208 HydrophobicContact CB-CD2 4.45Å; A191-W208 HydrophobicContact CB-CG 3.77Å
192P90.1Very high73.4Confident0 Ų052.5 Ų52.50%027%0.267CS..Hα-helixtrans-57-36.4-177.521.1-31.4000112.5V194 I195 L196 W198 W208 I236 L292P192-V194 VanDerWaalsContact C-N 3.3Å; P192-V194 PolarHBondContact O-N 3.42Å; P192-I195 PolarHBondContact O-N 3.16Å; P192-I195 VanDerWaalsContact O-N 3.12Å; P192-L196 PolarHBondContact O-N 3.11Å; P192-W198 HydrophobicContact CB-CZ2 4.34Å; P192-W208 HydrophobicContact CG-CH2 4.31Å; P192-W208 HydrophobicContact CG-CZ2 4.46Å; P192-W208 HydrophobicContact CG-CZ3 4.38Å; P192-I236 HydrophobicContact CB-CD1 4.26Å; P192-L292 HydrophobicContact CG-CD2 4.02Å
193E87.1Confident76Confident0 Ų053.5 Ų53.50%026%0.259CS..Hα-helixtrans-64.4-30.7176.663.9-84-162.200114.3A191 N197 W198 M199 V205 R297A191-E193 VanDerWaalsContact CB-CD 3.43Å; A191-E193 HydrophobicContact CB-CG 4.3Å; A191-E193 VanDerWaalsContact CB-OE1 3.32Å; A191-E193 WeakPolarHBondContact CB-OE1 3.27Å; A191-E193 WeakPolarHBondContact CB-OE2 3.47Å; A191-E193 PolarHBondContact O-N 3.32Å; E193-N197 WeakPolarHBondContact O-CA 3.36Å; E193-N197 PolarHBondContact O-N 2.86Å; E193-W198 VanDerWaalsContact CB-NE1 3.31Å; E193-M199 HydrophobicContact CB-CG 3.79Å; E193-M199 HydrophobicContact CB-SD 3.84Å; E193-V205 HydrophobicContact CG-CG1 4.04Å; E193-V205 WeakPolarHBondContact OE1-CG1 3.4Å; E193-R297 IonicContact OE1-CZ 3.67Å; E193-R297 IonicContact OE1-NH1 3.85Å; E193-R297 PolarHBondContact OE1-NH1 3.47Å; E193-R297 IonicContact OE1-NH2 3.07Å; E193-R297 PolarHBondContact OE1-NH2 3.32Å; E193-R297 IonicContact OE2-NH2 3.11Å; E193-R297 PolarHBondContact OE2-NH2 3.36Å
194V82.2Confident78.5Confident9 Ų943.7 Ų43.76%0.05522%0.221CC..Hα-helixtrans-77.7-31.5173.9179.20000111.4M180 A191 P192 Y201 V205M180-V194 HydrophobicContact CE-CG1 4.49Å; M180-V194 WeakPolarHBondContact CE-O 3.39Å; M180-V194 HydrophobicContact SD-CG1 4.2Å; A191-V194 HydrophobicContact CB-CG2 4.29Å; A191-V194 WeakPolarHBondContact O-CB 3.45Å; A191-V194 PolarHBondContact O-N 3.33Å; P192-V194 VanDerWaalsContact C-N 3.3Å; P192-V194 PolarHBondContact O-N 3.42Å; V194-Y201 HydrophobicContact CG2-CD2 4.16Å; V194-Y201 HydrophobicContact CG2-CE2 4.44Å; V194-Y201 HydrophobicContact CG2-CG 4.36Å; V194-V205 HydrophobicContact CG2-CB 4Å; V194-V205 HydrophobicContact CG2-CG1 3.56Å
195I76.7Confident81Confident24 Ų2439 Ų3912%0.12319%0.193CC..Hα-helixtrans-71.2-39.3179.4-66.5161.5000110.8R190 A191 P192 H229 Q232 I236R190-I195 HydrophobicContact CB-CD1 4.17Å; R190-I195 HydrophobicContact CB-CG1 3.91Å; R190-I195 WeakPolarHBondContact O-CD1 3.46Å; A191-I195 PolarHBondContact O-N 3.02Å; A191-I195 VanDerWaalsContact O-N 3.16Å; P192-I195 PolarHBondContact O-N 3.16Å; P192-I195 VanDerWaalsContact O-N 3.12Å; I195-H229 HydrophobicContact CG2-CB 3.97Å; I195-Q232 HydrophobicContact CD1-CG 3.54Å; I195-I236 HydrophobicContact CD1-CD1 4.14Å
196L70.6Confident82.8Confident50 Ų5036.3 Ų36.326%0.26218%0.176SC..Hα-helixtrans-99-15-172-61.3174.1000113.9P192 W198 L233P192-L196 PolarHBondContact O-N 3.11Å; L196-W198 HydrophobicContact CB-CB 4.12Å; L196-W198 HydrophobicContact CB-CD2 3.93Å; L196-W198 HydrophobicContact CB-CE3 4.13Å; L196-W198 HydrophobicContact CB-CG 3.89Å; L196-W198 HydrophobicContact CD1-CD2 3.75Å; L196-W198 HydrophobicContact CD1-CE3 3.31Å; L196-W198 HydrophobicContact CD1-CH2 3.67Å; L196-W198 HydrophobicContact CD1-CZ2 4.08Å; L196-W198 HydrophobicContact CD1-CZ3 3.22Å; L196-W198 HydrophobicContact CG-CE3 4.37Å; L196-W198 PolarHBondContact O-N 3.49Å; L196-W198 VanDerWaalsContact O-N 3.15Å; L196-L233 HydrophobicContact CD1-CD1 3.86Å; L196-L233 HydrophobicContact CD1-CD2 3.83Å; L196-L233 HydrophobicContact CD1-CG 4.4Å; L196-L233 HydrophobicContact CD2-CD2 4.18Å
197N72.2Confident84.3Confident78 Ų7833 Ų3342%0.41716%0.156SC..THydrogen-bonded Turntrans50.636.4-176.8-159.566.9000112.5E193E193-N197 WeakPolarHBondContact O-CA 3.36Å; E193-N197 PolarHBondContact O-N 2.86Å
198W69.6Low85.1Confident4 Ų429.5 Ų29.52%0.01514%0.143CC..  trans-94.3-4-170.363.4-1.4000114.5P192 E193 L196 F247 L251 D252 A256 L260P192-W198 HydrophobicContact CB-CZ2 4.34Å; E193-W198 VanDerWaalsContact CB-NE1 3.31Å; L196-W198 HydrophobicContact CB-CB 4.12Å; L196-W198 HydrophobicContact CB-CD2 3.93Å; L196-W198 HydrophobicContact CB-CE3 4.13Å; L196-W198 HydrophobicContact CB-CG 3.89Å; L196-W198 HydrophobicContact CD1-CD2 3.75Å; L196-W198 HydrophobicContact CD1-CE3 3.31Å; L196-W198 HydrophobicContact CD1-CH2 3.67Å; L196-W198 HydrophobicContact CD1-CZ2 4.08Å; L196-W198 HydrophobicContact CD1-CZ3 3.22Å; L196-W198 HydrophobicContact CG-CE3 4.37Å; L196-W198 PolarHBondContact O-N 3.49Å; L196-W198 VanDerWaalsContact O-N 3.15Å; W198-F247 AromaticContact CH2-CE1 3.76Å; W198-F247 HydrophobicContact CH2-CE1 3.76Å; W198-F247 HydrophobicContact CH2-CZ 4.18Å; W198-F247 AromaticContact CZ2-CE1 3.68Å; W198-F247 HydrophobicContact CZ2-CE1 3.68Å; W198-F247 AromaticContact CZ2-CZ 3.6Å; W198-F247 HydrophobicContact CZ2-CZ 3.6Å; W198-L251 HydrophobicContact CB-CD2 4.45Å; W198-L251 HydrophobicContact CD2-CD1 4.34Å; W198-L251 HydrophobicContact CD2-CD2 3.57Å; W198-L251 HydrophobicContact CE3-CD1 3.85Å; W198-L251 HydrophobicContact CE3-CD2 3.91Å; W198-L251 HydrophobicContact CG-CD2 3.86Å; W198-L251 HydrophobicContact CZ2-CD2 4.37Å; W198-L251 HydrophobicContact CZ3-CD1 4.23Å; W198-L251 HydrophobicContact CZ3-CD2 4.47Å; W198-D252 PolarHBondContact O-N 3.36Å; W198-A256 HydrophobicContact CB-CB 3.99Å; W198-A256 HydrophobicContact CE3-CB 4.14Å; W198-L260 HydrophobicContact CE3-CD1 3.82Å; W198-L260 HydrophobicContact CH2-CD1 3.96Å; W198-L260 HydrophobicContact CZ3-CD1 3.16Å; W198-L260 HydrophobicContact CZ3-CD2 4.03Å; W198-L260 HydrophobicContact CZ3-CG 4Å
199M66.3Low85.3Confident21 Ų2126.3 Ų26.310%0.10313%0.131CC..SBendtrans-159.8158.6178.667.6-173.349.900110E193 F247 L251 D252 P294E193-M199 HydrophobicContact CB-CG 3.79Å; E193-M199 HydrophobicContact CB-SD 3.84Å; M199-F247 HydrophobicContact CE-CE2 3.62Å; M199-F247 HydrophobicContact CE-CZ 3.6Å; M199-L251 HydrophobicContact CE-CD2 3.21Å; M199-D252 WeakPolarHBondContact CA-OD2 3.18Å; M199-P294 HydrophobicContact SD-CG 3.53Å; M199-P294 VanDerWaalsContact SD-CG 3.53Å
200H71.3Confident85.5Confident146 Ų14625.4 Ų25.468%0.67613%0.128SC*.  trans-59.2137.1163-67.5-74.4000110.4D252H200-D252 IonicContact CD2-OD2 2.78Å
201Y73.4Confident85.9Confident15 Ų1524 Ų246%0.05912%0.123CC..  trans-120.6141.8-173.854.4-84.3000111.4R150 R174 T178 V194 V205R150-Y201 VanDerWaalsContact NH1-CE2 3.32Å; R150-Y201 VanDerWaalsContact NH1-CZ 3.33Å; R150-Y201 PolarHBondContact NH1-OH 3.25Å; R150-Y201 VanDerWaalsContact NH2-CE2 3.27Å; R174-Y201 PolarHBondContact NH2-OH 2.96Å; T178-Y201 PolarHBondContact O-OH 3.32Å; V194-Y201 HydrophobicContact CG2-CD2 4.16Å; V194-Y201 HydrophobicContact CG2-CE2 4.44Å; V194-Y201 HydrophobicContact CG2-CG 4.36Å; Y201-V205 HydrophobicContact CD2-CG1 3.93Å; Y201-V205 HydrophobicContact CG-CG1 4.23Å
202T82.9Confident86.2Confident69 Ų6924 Ų2442%0.42312%0.123SC..  trans-105.4-173.2-174.572.30000110.9T204 V205T202-T204 PolarHBondContact O-N 3.03Å; T202-T204 VanDerWaalsContact O-N 3.09Å; T202-T204 PolarHBondContact OG1-N 3.47Å; T202-T204 PolarHBondContact OG1-OG1 3.46Å; T202-T204 VanDerWaalsContact OG1-OG1 3.12Å; T202-V205 WeakPolarHBondContact O-CG1 3.24Å; T202-V205 WeakPolarHBondContact O-CG2 3.47Å; T202-V205 PolarHBondContact O-N 3.25Å
203Q90.9Very high86.6Confident70 Ų7024.2 Ų24.233%0.32712%0.124SC..THydrogen-bonded Turntrans-58.1-18.817668.8-166.54.100114.1H143 I148 V205 D206H143-Q203 HydrophobicContact CB-CB 4.49Å; H143-Q203 PolarHBondContact CE1-O 3.47Å; I148-Q203 HydrophobicContact CD1-CB 4.46Å; I148-Q203 HydrophobicContact CG1-CB 4.3Å; Q203-V205 PolarHBondContact O-N 3.17Å; Q203-V205 VanDerWaalsContact O-N 3.15Å; Q203-D206 PolarHBondContact O-N 2.83Å
204T95Very high87.1Confident7 Ų724.2 Ų24.24%0.04312%0.124CC..Hα-helixtrans-69.2-9.7-17965.10000113.2T202 D206 I207 W208 P294 R297T202-T204 PolarHBondContact O-N 3.03Å; T202-T204 VanDerWaalsContact O-N 3.09Å; T202-T204 PolarHBondContact OG1-N 3.47Å; T202-T204 PolarHBondContact OG1-OG1 3.46Å; T202-T204 VanDerWaalsContact OG1-OG1 3.12Å; T204-D206 PolarHBondContact O-N 3.47Å; T204-I207 WeakPolarHBondContact O-CB 3.47Å; T204-I207 PolarHBondContact O-N 2.86Å; T204-I207 VanDerWaalsContact O-N 3.11Å; T204-W208 PolarHBondContact O-N 3.12Å; T204-P294 PolarHBondContact OG1-O 2.71Å; T204-R297 VanDerWaalsContact O-CD 3.29Å; T204-R297 WeakPolarHBondContact O-CD 3.22Å; T204-R297 PolarHBondContact O-NH1 2.96Å
205V94.7Very high87.9Confident3 Ų323.8 Ų23.82%0.01812%0.121CC..Hα-helixtrans-59.6-34.5169.8-60.60000112.3I148 A191 E193 V194 Y201 T202 Q203 I207 W208 S209I148-V205 HydrophobicContact CG2-CG2 3.47Å; I148-V205 VanDerWaalsContact CG2-CG2 3.47Å; A191-V205 HydrophobicContact CB-CB 4.01Å; A191-V205 HydrophobicContact CB-CG1 4.11Å; E193-V205 HydrophobicContact CG-CG1 4.04Å; E193-V205 WeakPolarHBondContact OE1-CG1 3.4Å; V194-V205 HydrophobicContact CG2-CB 4Å; V194-V205 HydrophobicContact CG2-CG1 3.56Å; Y201-V205 HydrophobicContact CD2-CG1 3.93Å; Y201-V205 HydrophobicContact CG-CG1 4.23Å; T202-V205 WeakPolarHBondContact O-CG1 3.24Å; T202-V205 WeakPolarHBondContact O-CG2 3.47Å; T202-V205 PolarHBondContact O-N 3.25Å; Q203-V205 PolarHBondContact O-N 3.17Å; Q203-V205 VanDerWaalsContact O-N 3.15Å; V205-I207 VanDerWaalsContact C-N 3.3Å; V205-W208 WeakPolarHBondContact O-CB 3.4Å; V205-W208 PolarHBondContact O-N 3.34Å; V205-S209 PolarHBondContact O-N 2.82Å; V205-S209 PolarHBondContact O-OG 3.46Å
206D96.4Very high88.9Confident0 Ų023.6 Ų23.60%012%0.12CC..Hα-helixtrans-71.9-30.5178.1-65.5-31.1000110.7L139 H143 I148 H149 R150 Q203 T204 S209 V210L139-D206 HydrophobicContact CD1-CB 3.99Å; L139-D206 HydrophobicContact CD2-CB 3.93Å; H143-D206 IonicContact CD2-OD2 3.75Å; H143-D206 IonicContact CE1-OD2 2.97Å; H143-D206 IonicContact NE2-OD2 2.58Å; H143-D206 PolarHBondContact NE2-OD2 2.84Å; I148-D206 WeakPolarHBondContact CG2-OD2 3.47Å; H149-D206 WeakPolarHBondContact CB-OD1 3.24Å; H149-D206 WeakPolarHBondContact CB-OD2 3.41Å; H149-D206 PolarHBondContact N-OD2 3.32Å; R150-D206 PolarHBondContact N-OD1 3.34Å; Q203-D206 PolarHBondContact O-N 2.83Å; T204-D206 PolarHBondContact O-N 3.47Å; D206-S209 WeakPolarHBondContact O-CB 3.37Å; D206-S209 PolarHBondContact O-N 2.93Å; D206-V210 WeakPolarHBondContact O-CG2 3.44Å; D206-V210 PolarHBondContact O-N 3.12Å
207I98.4Very high90.2Very high0 Ų021.6 Ų21.60%011%0.109CC..Hα-helixtrans-67.8-38177-57-62.8000111.2L136 L139 T204 V205 S209 V210 G211 M289 R297 V298 A300L136-I207 HydrophobicContact CD2-CD1 3.9Å; L139-I207 HydrophobicContact CD1-CD1 4.32Å; T204-I207 WeakPolarHBondContact O-CB 3.47Å; T204-I207 PolarHBondContact O-N 2.86Å; T204-I207 VanDerWaalsContact O-N 3.11Å; V205-I207 VanDerWaalsContact C-N 3.3Å; I207-S209 VanDerWaalsContact C-N 3.29Å; I207-S209 PolarHBondContact O-N 3.27Å; I207-V210 PolarHBondContact O-N 2.89Å; I207-G211 PolarHBondContact O-N 3.18Å; I207-M289 HydrophobicContact CG2-CB 3.96Å; I207-M289 HydrophobicContact CG2-CG 3.65Å; I207-M289 HydrophobicContact CG2-SD 4.44Å; I207-R297 HydrophobicContact CB-CG 4.43Å; I207-R297 HydrophobicContact CG2-CG 4.08Å; I207-V298 WeakPolarHBondContact CG1-O 3.49Å; I207-V298 HydrophobicContact CG2-CG2 4.17Å; I207-V298 WeakPolarHBondContact CG2-O 3.37Å; I207-A300 HydrophobicContact CD1-CB 4.03Å
208W98Very high91.4Very high0 Ų018.6 Ų18.60%09%0.093CC..Hα-helixtrans-57.9-45.4170.2177.5-84.1000111.4R190 A191 P192 T204 V205 V210 G211 C212 F224 I236 T240 L290 L291 L292R190-W208 PolarHBondContact O-NE1 3.34Å; R190-W208 VanDerWaalsContact O-NE1 3.16Å; A191-W208 HydrophobicContact CB-CB 3.75Å; A191-W208 HydrophobicContact CB-CD2 4.45Å; A191-W208 HydrophobicContact CB-CG 3.77Å; P192-W208 HydrophobicContact CG-CH2 4.31Å; P192-W208 HydrophobicContact CG-CZ2 4.46Å; P192-W208 HydrophobicContact CG-CZ3 4.38Å; T204-W208 PolarHBondContact O-N 3.12Å; V205-W208 WeakPolarHBondContact O-CB 3.4Å; V205-W208 PolarHBondContact O-N 3.34Å; W208-V210 VanDerWaalsContact C-N 3.33Å; W208-V210 PolarHBondContact O-N 2.7Å; W208-G211 PolarHBondContact O-N 3.24Å; W208-C212 PolarHBondContact NE1-SG 2.95Å; W208-C212 PolarHBondContact O-N 2.62Å; W208-C212 PolarHBondContact O-SG 3.36Å; W208-F224 HydrophobicContact CH2-CE2 4.24Å; W208-F224 HydrophobicContact CH2-CZ 4.41Å; W208-F224 HydrophobicContact CZ2-CD2 4.16Å; W208-F224 AromaticContact CZ2-CE2 3.51Å; W208-F224 HydrophobicContact CZ2-CE2 3.51Å; W208-F224 HydrophobicContact CZ2-CZ 4.07Å; W208-I236 HydrophobicContact CH2-CG2 3.55Å; W208-I236 HydrophobicContact CZ2-CB 4.47Å; W208-I236 HydrophobicContact CZ2-CD1 3.88Å; W208-I236 HydrophobicContact CZ2-CG1 3.93Å; W208-I236 HydrophobicContact CZ2-CG2 3.75Å; W208-T240 HydrophobicContact CH2-CG2 3.99Å; W208-T240 HydrophobicContact CZ3-CG2 4.46Å; W208-L290 HydrophobicContact CD2-CD2 4.23Å; W208-L290 HydrophobicContact CE3-CD2 4.24Å; W208-L290 HydrophobicContact CZ3-CB 4.39Å; W208-L290 HydrophobicContact CZ3-CD2 4.4Å; W208-L291 WeakPolarHBondContact CZ3-O 3.46Å; W208-L292 HydrophobicContact CH2-CD2 4.42Å
209S97.7Very high92.6Very high4 Ų421 Ų213%0.02811%0.105CC..Hα-helixtrans-60.6-42.3177-56.60000111.7Y189 V205 D206 I207 G211 C212 I213Y189-S209 VanDerWaalsContact O-CA 3.31Å; Y189-S209 WeakPolarHBondContact O-CA 3.48Å; Y189-S209 VanDerWaalsContact O-CB 3.32Å; Y189-S209 WeakPolarHBondContact O-CB 3.32Å; Y189-S209 PolarHBondContact O-OG 3.46Å; V205-S209 PolarHBondContact O-N 2.82Å; V205-S209 PolarHBondContact O-OG 3.46Å; D206-S209 WeakPolarHBondContact O-CB 3.37Å; D206-S209 PolarHBondContact O-N 2.93Å; I207-S209 VanDerWaalsContact C-N 3.29Å; I207-S209 PolarHBondContact O-N 3.27Å; S209-G211 PolarHBondContact O-N 3.19Å; S209-C212 WeakPolarHBondContact O-CB 3.33Å; S209-C212 PolarHBondContact O-N 3.48Å; S209-I213 WeakPolarHBondContact O-CD1 3.35Å; S209-I213 WeakPolarHBondContact O-CG1 3.42Å; S209-I213 PolarHBondContact O-N 3.29Å
210V98.7Very high94Very high3 Ų322.8 Ų22.82%0.01813%0.128CC..Hα-helixtrans-59.8-44.6173.6177.20000111.2V132 T135 L136 L139 L152 D206 I207 W208 C212 I213 M214 M289V132-V210 HydrophobicContact CG1-CG1 3.91Å; T135-V210 HydrophobicContact CG2-CG2 3.78Å; L136-V210 HydrophobicContact CD2-CG1 4.24Å; L139-V210 HydrophobicContact CD1-CG2 3.49Å; L139-V210 VanDerWaalsContact CD1-CG2 3.49Å; L152-V210 HydrophobicContact CD2-CG2 3.52Å; D206-V210 WeakPolarHBondContact O-CG2 3.44Å; D206-V210 PolarHBondContact O-N 3.12Å; I207-V210 PolarHBondContact O-N 2.89Å; W208-V210 VanDerWaalsContact C-N 3.33Å; W208-V210 PolarHBondContact O-N 2.7Å; V210-C212 VanDerWaalsContact C-N 3.33Å; V210-C212 PolarHBondContact O-N 3.08Å; V210-I213 PolarHBondContact O-N 3.42Å; V210-I213 VanDerWaalsContact O-N 3.17Å; V210-M214 WeakPolarHBondContact O-CB 3.35Å; V210-M214 PolarHBondContact O-N 3.32Å; V210-M289 HydrophobicContact CB-SD 4.32Å; V210-M289 HydrophobicContact CG1-CE 4Å; V210-M289 HydrophobicContact CG1-SD 3.89Å
211G98.6Very high95Very high0 Ų022.1 Ų22.10%012%0.123CC..Hα-helixtrans-58.1-43.3175.300000112.6I207 W208 S209 I213 M214 A215 L286I207-G211 PolarHBondContact O-N 3.18Å; W208-G211 PolarHBondContact O-N 3.24Å; S209-G211 PolarHBondContact O-N 3.19Å; G211-I213 PolarHBondContact O-N 3.45Å; G211-M214 PolarHBondContact O-N 2.87Å; G211-A215 WeakPolarHBondContact O-CB 3.27Å; G211-A215 PolarHBondContact O-N 2.87Å; G211-L286 WeakPolarHBondContact O-CD2 3.34Å
212C98.6Very high96.1Very high1 Ų123 Ų231%0.00713%0.13CC..Hα-helixtrans-63-41.8175.4-64.30000112.4Y189 W208 S209 V210 E216Y189-C212 HydrophobicContact CD1-CB 3.78Å; W208-C212 PolarHBondContact NE1-SG 2.95Å; W208-C212 PolarHBondContact O-N 2.62Å; W208-C212 PolarHBondContact O-SG 3.36Å; S209-C212 WeakPolarHBondContact O-CB 3.33Å; S209-C212 PolarHBondContact O-N 3.48Å; V210-C212 VanDerWaalsContact C-N 3.33Å; V210-C212 PolarHBondContact O-N 3.08Å; C212-E216 PolarHBondContact O-N 3.41Å
213I98.6Very high96.8Very high4 Ų420.9 Ų20.92%0.02112%0.116CC..Hα-helixtrans-68.7-43.9179.5-66.3163.9000110.5L114 L152 P154 L157 Y189 S209 V210 G211 E216 M217L114-I213 HydrophobicContact CD2-CG2 3.65Å; L152-I213 HydrophobicContact CD2-CD1 4.05Å; L152-I213 HydrophobicContact CG-CD1 4.02Å; P154-I213 HydrophobicContact CG-CG1 4.15Å; P154-I213 HydrophobicContact CG-CG2 4.47Å; L157-I213 HydrophobicContact CD1-CD1 3.95Å; L157-I213 HydrophobicContact CD1-CG2 4.09Å; Y189-I213 HydrophobicContact CD1-CG1 3.74Å; Y189-I213 HydrophobicContact CE1-CG1 4.07Å; S209-I213 WeakPolarHBondContact O-CD1 3.35Å; S209-I213 WeakPolarHBondContact O-CG1 3.42Å; S209-I213 PolarHBondContact O-N 3.29Å; V210-I213 PolarHBondContact O-N 3.42Å; V210-I213 VanDerWaalsContact O-N 3.17Å; G211-I213 PolarHBondContact O-N 3.45Å; I213-E216 PolarHBondContact O-N 3.35Å; I213-M217 HydrophobicContact CG2-CE 3.96Å; I213-M217 WeakPolarHBondContact O-CG 3.47Å; I213-M217 PolarHBondContact O-N 3.4Å
214M98.7Very high97Very high0 Ų017.6 Ų17.60%010%0.101CC..Hα-helixtrans-60.8-45.5175.5-179.5175.5175.700111.6I128 V132 V210 G211 E216 M217 L218 A282 V285 L286 Y308I128-M214 HydrophobicContact CG2-CG 4.16Å; V132-M214 HydrophobicContact CG1-SD 4.3Å; V132-M214 HydrophobicContact CG2-CB 3.93Å; V132-M214 HydrophobicContact CG2-CG 3.95Å; V132-M214 HydrophobicContact CG2-SD 4.19Å; V210-M214 WeakPolarHBondContact O-CB 3.35Å; V210-M214 PolarHBondContact O-N 3.32Å; G211-M214 PolarHBondContact O-N 2.87Å; M214-E216 VanDerWaalsContact C-N 3.33Å; M214-E216 PolarHBondContact O-N 3.09Å; M214-M217 HydrophobicContact CB-CE 4.34Å; M214-M217 PolarHBondContact O-N 2.94Å; M214-L218 HydrophobicContact CE-CD1 4.34Å; M214-L218 HydrophobicContact CG-CD1 4.21Å; M214-L218 WeakPolarHBondContact O-CG 3.28Å; M214-L218 PolarHBondContact O-N 2.78Å; M214-A282 HydrophobicContact CE-CB 3.74Å; M214-A282 WeakPolarHBondContact CE-O 3.31Å; M214-V285 HydrophobicContact CE-CB 4.09Å; M214-V285 HydrophobicContact CE-CG1 4.17Å; M214-V285 HydrophobicContact SD-CB 4.19Å; M214-V285 HydrophobicContact SD-CG1 3.64Å; M214-L286 HydrophobicContact CB-CD2 3.99Å; M214-L286 HydrophobicContact CG-CD2 3.95Å; M214-L286 HydrophobicContact SD-CD2 4.07Å; M214-L286 HydrophobicContact SD-CG 4.39Å; M214-Y308 HydrophobicContact CE-CD1 4.09Å; M214-Y308 HydrophobicContact CE-CE1 3.49Å; M214-Y308 VanDerWaalsContact CE-CE1 3.49Å
215A98.4Very high97Very high0 Ų023.8 Ų23.80%013%0.127CC..Hα-helixtrans-59.1-44.5174.700000111.8G211 M217 L218 Q219 L223 F275 L286G211-A215 WeakPolarHBondContact O-CB 3.27Å; G211-A215 PolarHBondContact O-N 2.87Å; A215-M217 PolarHBondContact O-N 2.76Å; A215-L218 PolarHBondContact O-N 2.64Å; A215-Q219 WeakPolarHBondContact O-CG 3.46Å; A215-Q219 PolarHBondContact O-N 3.37Å; A215-Q219 VanDerWaalsContact O-N 3.08Å; A215-L223 HydrophobicContact CB-CB 3.98Å; A215-L223 HydrophobicContact CB-CD1 4.36Å; A215-L223 HydrophobicContact CB-CD2 3.64Å; A215-L223 HydrophobicContact CB-CG 4.19Å; A215-F275 HydrophobicContact CB-CE1 4Å; A215-F275 HydrophobicContact CB-CZ 3.69Å; A215-L286 HydrophobicContact CB-CD1 4.46Å; A215-L286 HydrophobicContact CB-CD2 4.12Å
216E98.1Very high96.8Very high21 Ų2124.2 Ų24.210%0.09813%0.132CC..Hα-helixtrans-62.5-40.5176177.7167.1173.600112.6M118 Y189 C212 I213 M214 L218 Q219 G220 K221 P222M118-E216 HydrophobicContact CE-CG 3.92Å; M118-E216 HydrophobicContact SD-CG 4.01Å; Y189-E216 WeakPolarHBondContact CE1-OE2 3.37Å; Y189-E216 VanDerWaalsContact CZ-OE2 3.22Å; Y189-E216 PolarHBondContact OH-OE2 3.12Å; C212-E216 PolarHBondContact O-N 3.41Å; I213-E216 PolarHBondContact O-N 3.35Å; M214-E216 VanDerWaalsContact C-N 3.33Å; M214-E216 PolarHBondContact O-N 3.09Å; E216-L218 VanDerWaalsContact C-N 3.3Å; E216-L218 PolarHBondContact O-N 2.83Å; E216-Q219 PolarHBondContact O-N 2.82Å; E216-G220 VanDerWaalsContact O-CA 3.27Å; E216-G220 WeakPolarHBondContact O-CA 3.3Å; E216-G220 PolarHBondContact O-N 2.79Å; E216-K221 WeakPolarHBondContact CA-O 3.07Å; E216-P222 WeakPolarHBondContact OE2-CA 3.37Å
217M98.1Very high96.4Very high8 Ų829 Ų294%0.03917%0.165CC..Hα-helixtrans-60.9-39.4174.7-73.4-172.4-75.700112.2L114 M118 L123 I128 L131 V132 I213 M214 A215L114-M217 HydrophobicContact CD1-SD 4.13Å; L114-M217 HydrophobicContact CD2-CG 4.45Å; L114-M217 HydrophobicContact CD2-SD 3.94Å; M118-M217 HydrophobicContact CG-CG 4.31Å; M118-M217 HydrophobicContact SD-CB 4.23Å; M118-M217 HydrophobicContact SD-CG 3.4Å; M118-M217 WeakPolarHBondContact SD-CG 3.34Å; L123-M217 HydrophobicContact CD1-CB 4.33Å; L123-M217 HydrophobicContact CD1-CG 3.92Å; L123-M217 HydrophobicContact CD1-SD 3.89Å; I128-M217 HydrophobicContact CD1-CB 3.81Å; I128-M217 HydrophobicContact CG1-CB 3.84Å; I128-M217 HydrophobicContact CG1-SD 4.43Å; I128-M217 HydrophobicContact CG2-CB 4.23Å; I128-M217 HydrophobicContact CG2-CE 4.11Å; I128-M217 HydrophobicContact CG2-SD 4.47Å; L131-M217 HydrophobicContact CB-SD 4.45Å; L131-M217 HydrophobicContact CD1-SD 4.26Å; V132-M217 HydrophobicContact CG2-CE 3.36Å; I213-M217 HydrophobicContact CG2-CE 3.96Å; I213-M217 WeakPolarHBondContact O-CG 3.47Å; I213-M217 PolarHBondContact O-N 3.4Å; M214-M217 HydrophobicContact CB-CE 4.34Å; M214-M217 PolarHBondContact O-N 2.94Å; A215-M217 PolarHBondContact O-N 2.76Å
218L97.6Very high95.8Very high15 Ų1532 Ų328%0.07918%0.182CC..Hα-helixtrans-69.7-40.3-179.8-71.2165.2000112.8I128 M214 A215 E216 F275 A278 L286I128-L218 HydrophobicContact CD1-CD2 3.72Å; I128-L218 HydrophobicContact CD1-CG 4.07Å; M214-L218 HydrophobicContact CE-CD1 4.34Å; M214-L218 HydrophobicContact CG-CD1 4.21Å; M214-L218 WeakPolarHBondContact O-CG 3.28Å; M214-L218 PolarHBondContact O-N 2.78Å; A215-L218 PolarHBondContact O-N 2.64Å; E216-L218 VanDerWaalsContact C-N 3.3Å; E216-L218 PolarHBondContact O-N 2.83Å; L218-F275 HydrophobicContact CB-CD1 4.1Å; L218-A278 HydrophobicContact CD1-CB 4.41Å; L218-A278 HydrophobicContact CD2-CB 4.17Å; L218-L286 HydrophobicContact CD1-CD1 3.86Å
219Q94.9Very high95.1Very high55 Ų5536.9 Ų36.926%0.25720%0.204SC..Hα-helixtrans-104.5-9.1-173.875.4-179.81.700115.1A215 E216 K221 P222 F275A215-Q219 WeakPolarHBondContact O-CG 3.46Å; A215-Q219 PolarHBondContact O-N 3.37Å; A215-Q219 VanDerWaalsContact O-N 3.08Å; E216-Q219 PolarHBondContact O-N 2.82Å; Q219-K221 VanDerWaalsContact C-N 3.29Å; Q219-K221 HydrophobicContact CG-CG 3.74Å; Q219-K221 VanDerWaalsContact CG-O 3.26Å; Q219-K221 WeakPolarHBondContact CG-O 3.5Å; Q219-K221 PolarHBondContact NE2-O 3.15Å; Q219-K221 PolarHBondContact O-N 2.82Å; Q219-P222 PolarHBondContact NE2-O 2.85Å; Q219-F275 HydrophobicContact CB-CD1 4.11Å; Q219-F275 HydrophobicContact CB-CE1 4.04Å; Q219-F275 HydrophobicContact CG-CE1 4.16Å
220G94Very high94.5Very high57 Ų5740 Ų4059%0.58822%0.221SC*.SBendtrans73.910.7-179.600000115.5E216E216-G220 VanDerWaalsContact O-CA 3.27Å; E216-G220 WeakPolarHBondContact O-CA 3.3Å; E216-G220 PolarHBondContact O-N 2.79Å
221K93.9Very high94.1Very high133 Ų13341.8 Ų41.858%0.57823%0.23SC*.SBendtrans-145.6150.317860.8177.9179.4-176.70111E216 Q219 L223E216-K221 WeakPolarHBondContact CA-O 3.07Å; Q219-K221 VanDerWaalsContact C-N 3.29Å; Q219-K221 HydrophobicContact CG-CG 3.74Å; Q219-K221 VanDerWaalsContact CG-O 3.26Å; Q219-K221 WeakPolarHBondContact CG-O 3.5Å; Q219-K221 PolarHBondContact NE2-O 3.15Å; Q219-K221 PolarHBondContact O-N 2.82Å; K221-L223 PolarHBondContact O-N 3.32Å
222P95.9Very high93.8Very high33 Ų3341.9 Ų41.921%0.21423%0.23CC..  trans-53.8136.4177.8-26.633.7000112.3W188 E216 Q219W188-P222 HydrophobicContact CD2-CB 4.47Å; W188-P222 HydrophobicContact CE3-CB 3.82Å; W188-P222 HydrophobicContact CE3-CG 3.67Å; W188-P222 HydrophobicContact CZ3-CB 4.32Å; W188-P222 HydrophobicContact CZ3-CG 3.7Å; E216-P222 WeakPolarHBondContact OE2-CA 3.37Å; Q219-P222 PolarHBondContact NE2-O 2.85Å
223L97.2Very high93.3Very high25 Ų2542 Ų4213%0.13123%0.231CC..SBendtrans-67.3-47.7-179.4-178.259.2000112A215 K221 V239 F275 L290A215-L223 HydrophobicContact CB-CB 3.98Å; A215-L223 HydrophobicContact CB-CD1 4.36Å; A215-L223 HydrophobicContact CB-CD2 3.64Å; A215-L223 HydrophobicContact CB-CG 4.19Å; K221-L223 PolarHBondContact O-N 3.32Å; L223-V239 HydrophobicContact CD1-CG2 4.5Å; L223-F275 HydrophobicContact CD1-CZ 3.97Å; L223-L290 HydrophobicContact CD2-CD1 3.59Å
224F96.5Very high93Very high1 Ų144.6 Ų44.60%0.00425%0.245CC..  trans-120.7103.9-177.2-52-58.9000110.5W188 W208 Q232 Q235 I236 V239 L290W188-F224 WeakPolarHBondContact CA-O 3.32Å; W188-F224 WeakPolarHBondContact CB-O 3.45Å; W188-F224 VanDerWaalsContact CG-O 3.28Å; W208-F224 HydrophobicContact CH2-CE2 4.24Å; W208-F224 HydrophobicContact CH2-CZ 4.41Å; W208-F224 HydrophobicContact CZ2-CD2 4.16Å; W208-F224 AromaticContact CZ2-CE2 3.51Å; W208-F224 HydrophobicContact CZ2-CE2 3.51Å; W208-F224 HydrophobicContact CZ2-CZ 4.07Å; F224-Q232 PolarHBondContact O-NE2 3.45Å; F224-Q232 PolarHBondContact O-OE1 3.37Å; F224-Q235 HydrophobicContact CB-CB 4.39Å; F224-Q235 HydrophobicContact CD1-CB 4.43Å; F224-Q235 WeakPolarHBondContact CD1-O 3.49Å; F224-I236 HydrophobicContact CB-CG1 4.29Å; F224-I236 HydrophobicContact CD1-CB 4.45Å; F224-I236 HydrophobicContact CD1-CG1 3.96Å; F224-I236 HydrophobicContact CD2-CG1 4Å; F224-I236 HydrophobicContact CE1-CB 4.41Å; F224-I236 HydrophobicContact CE1-CG1 4.24Å; F224-I236 HydrophobicContact CE2-CG1 4.27Å; F224-I236 HydrophobicContact CG-CG1 3.82Å; F224-I236 HydrophobicContact CZ-CG1 4.38Å; F224-V239 HydrophobicContact CD1-CG2 4.5Å; F224-V239 HydrophobicContact CE1-CB 3.84Å; F224-V239 HydrophobicContact CE1-CG1 4.47Å; F224-V239 HydrophobicContact CE1-CG2 3.73Å; F224-V239 HydrophobicContact CZ-CB 4.38Å; F224-L290 HydrophobicContact CE2-CD2 4.25Å
225K94.1Very high92.8Very high137 Ų13746.9 Ų46.960%0.59626%0.256SS*.  trans-112.576.5-177.6-167.5-175.5177.8-177.50111.2W188W188-K225 HydrophobicContact CD2-CG 4.23Å; W188-K225 HydrophobicContact CH2-CD 4.28Å; W188-K225 HydrophobicContact CH2-CG 4.11Å; W188-K225 HydrophobicContact CZ2-CD 4.12Å; W188-K225 HydrophobicContact CZ2-CG 3.56Å
226G90.9Very high92.7Very high12 Ų1246.9 Ų46.912%0.12426%0.256CS..  trans-82.9144.8174.700000113.3W188 D231W188-G226 PolarHBondContact NE1-O 2.86Å; G226-D231 VanDerWaalsContact CA-OD2 3.24Å; G226-D231 WeakPolarHBondContact CA-OD2 3.42Å
227S87.4Confident92.5Very high99 Ų9946 Ų4669%0.69225%0.252SS*.SBendtrans-76.8-31.6170.452.70000113.4D231S227-D231 PolarHBondContact N-OD2 3.02Å; S227-D231 PolarHBondContact OG-OD2 3.04Å
228D85.4Confident92.4Very high65 Ų6550 Ų5035%0.34827%0.268SS..SBendtrans-146.2-177.5179.762.969.7000110.5L230 D231 Q232D228-L230 PolarHBondContact O-N 3.23Å; D228-L230 PolarHBondContact OD1-N 2.61Å; D228-D231 PolarHBondContact OD1-N 3.16Å; D228-Q232 WeakPolarHBondContact O-CB 3.49Å; D228-Q232 PolarHBondContact O-N 3.25Å
229H82.8Confident92.3Very high101 Ų10149.8 Ų49.847%0.46827%0.268SS..Hα-helixtrans-58.8-38.6-179.157.7-12.4000115.1I195 L233I195-H229 HydrophobicContact CG2-CB 3.97Å; H229-L233 PolarHBondContact O-N 3.44Å; H229-L233 VanDerWaalsContact O-N 3.13Å
230L85.6Confident92.3Very high71 Ų7148.1 Ų48.137%0.37226%0.261SS..Hα-helixtrans-81-42.2-177-71.7175.7000109.7D228 Q232 L233 N234D228-L230 PolarHBondContact O-N 3.23Å; D228-L230 PolarHBondContact OD1-N 2.61Å; L230-Q232 VanDerWaalsContact C-N 3.31Å; L230-Q232 PolarHBondContact O-N 3.47Å; L230-L233 PolarHBondContact O-N 2.94Å; L230-N234 VanDerWaalsContact O-CG 3.3Å; L230-N234 PolarHBondContact O-N 2.89Å; L230-N234 PolarHBondContact O-ND2 3.21Å
231D90.3Very high92.4Very high40 Ų4045.5 Ų45.521%0.21423%0.234CC..Hα-helixtrans-61.4-42.4172.4-177.537.1000110.9G226 S227 D228 L233 N234 Q235G226-D231 VanDerWaalsContact CA-OD2 3.24Å; G226-D231 WeakPolarHBondContact CA-OD2 3.42Å; S227-D231 PolarHBondContact N-OD2 3.02Å; S227-D231 PolarHBondContact OG-OD2 3.04Å; D228-D231 PolarHBondContact OD1-N 3.16Å; D231-L233 VanDerWaalsContact C-N 3.34Å; D231-L233 PolarHBondContact O-N 2.96Å; D231-N234 CarbonylContact O-C 3.57Å; D231-N234 WeakPolarHBondContact O-CB 3.31Å; D231-N234 PolarHBondContact O-N 2.82Å; D231-N234 VanDerWaalsContact O-N 3.12Å; D231-Q235 WeakPolarHBondContact O-CG 3.45Å; D231-Q235 PolarHBondContact O-N 3.23Å; D231-Q235 PolarHBondContact OD1-NE2 3.11Å
232Q91.9Very high92.3Very high1 Ų140.8 Ų40.81%0.00522%0.217CC..Hα-helixtrans-57.2-46.2175.2-176.26824.300111.8I195 F224 D228 L230 N234 Q235 I236I195-Q232 HydrophobicContact CD1-CG 3.54Å; F224-Q232 PolarHBondContact O-NE2 3.45Å; F224-Q232 PolarHBondContact O-OE1 3.37Å; D228-Q232 WeakPolarHBondContact O-CB 3.49Å; D228-Q232 PolarHBondContact O-N 3.25Å; L230-Q232 VanDerWaalsContact C-N 3.31Å; L230-Q232 PolarHBondContact O-N 3.47Å; Q232-N234 VanDerWaalsContact C-N 3.34Å; Q232-N234 PolarHBondContact O-N 2.75Å; Q232-Q235 PolarHBondContact O-N 2.84Å; Q232-I236 HydrophobicContact CG-CD1 4.34Å; Q232-I236 VanDerWaalsContact O-CG1 3.32Å; Q232-I236 WeakPolarHBondContact O-CG1 2.98Å; Q232-I236 PolarHBondContact O-N 3.37Å
233L89.8Confident92Very high3 Ų340 Ų402%0.01621%0.212CC..Hα-helixtrans-60.5-43175.5-17962.5000111.7L196 H229 L230 D231 Q235 I236 M237 Y259L196-L233 HydrophobicContact CD1-CD1 3.86Å; L196-L233 HydrophobicContact CD1-CD2 3.83Å; L196-L233 HydrophobicContact CD1-CG 4.4Å; L196-L233 HydrophobicContact CD2-CD2 4.18Å; H229-L233 PolarHBondContact O-N 3.44Å; H229-L233 VanDerWaalsContact O-N 3.13Å; L230-L233 PolarHBondContact O-N 2.94Å; D231-L233 VanDerWaalsContact C-N 3.34Å; D231-L233 PolarHBondContact O-N 2.96Å; L233-Q235 PolarHBondContact O-N 3.4Å; L233-I236 WeakPolarHBondContact O-CB 3.18Å; L233-I236 PolarHBondContact O-N 2.8Å; L233-M237 HydrophobicContact CD1-CG 4.48Å; L233-M237 HydrophobicContact CD2-CE 4.34Å; L233-M237 HydrophobicContact CG-CE 3.88Å; L233-M237 HydrophobicContact CG-SD 4.37Å; L233-M237 PolarHBondContact O-N 2.85Å; L233-Y259 HydrophobicContact CD2-CE1 3.8Å
234N91.1Very high91.6Very high59 Ų5942 Ų4232%0.31623%0.228SC..Hα-helixtrans-62.9-39.9176.1-71.5-31.9000112.2L230 D231 Q232 I236 M237 K238L230-N234 VanDerWaalsContact O-CG 3.3Å; L230-N234 PolarHBondContact O-N 2.89Å; L230-N234 PolarHBondContact O-ND2 3.21Å; D231-N234 CarbonylContact O-C 3.57Å; D231-N234 WeakPolarHBondContact O-CB 3.31Å; D231-N234 PolarHBondContact O-N 2.82Å; D231-N234 VanDerWaalsContact O-N 3.12Å; Q232-N234 VanDerWaalsContact C-N 3.34Å; Q232-N234 PolarHBondContact O-N 2.75Å; N234-I236 VanDerWaalsContact C-N 3.29Å; N234-I236 PolarHBondContact O-N 3.34Å; N234-M237 PolarHBondContact O-N 2.88Å; N234-M237 WeakPolarHBondContact OD1-CE 3.46Å; N234-K238 VanDerWaalsContact O-CG 3.26Å; N234-K238 WeakPolarHBondContact O-CG 3.44Å; N234-K238 PolarHBondContact O-N 2.7Å; N234-K238 VanDerWaalsContact O-N 3.07Å
235Q95.3Very high91.3Very high49 Ų4947.4 Ų47.423%0.22925%0.253CS..Hα-helixtrans-63.3-36.9174.4-61.8-50.4-44.600111.8F224 D231 Q232 L233F224-Q235 HydrophobicContact CB-CB 4.39Å; F224-Q235 HydrophobicContact CD1-CB 4.43Å; F224-Q235 WeakPolarHBondContact CD1-O 3.49Å; D231-Q235 WeakPolarHBondContact O-CG 3.45Å; D231-Q235 PolarHBondContact O-N 3.23Å; D231-Q235 PolarHBondContact OD1-NE2 3.11Å; Q232-Q235 PolarHBondContact O-N 2.84Å; L233-Q235 PolarHBondContact O-N 3.4Å
236I95.8Very high91Very high0 Ų047.5 Ų47.50%026%0.255CS..Hα-helixtrans-63.9-54.7175.7-68.4169.8000110.6P192 I195 W208 F224 Q232 L233 N234 K238 V239 T240 L292P192-I236 HydrophobicContact CB-CD1 4.26Å; I195-I236 HydrophobicContact CD1-CD1 4.14Å; W208-I236 HydrophobicContact CH2-CG2 3.55Å; W208-I236 HydrophobicContact CZ2-CB 4.47Å; W208-I236 HydrophobicContact CZ2-CD1 3.88Å; W208-I236 HydrophobicContact CZ2-CG1 3.93Å; W208-I236 HydrophobicContact CZ2-CG2 3.75Å; F224-I236 HydrophobicContact CB-CG1 4.29Å; F224-I236 HydrophobicContact CD1-CB 4.45Å; F224-I236 HydrophobicContact CD1-CG1 3.96Å; F224-I236 HydrophobicContact CD2-CG1 4Å; F224-I236 HydrophobicContact CE1-CB 4.41Å; F224-I236 HydrophobicContact CE1-CG1 4.24Å; F224-I236 HydrophobicContact CE2-CG1 4.27Å; F224-I236 HydrophobicContact CG-CG1 3.82Å; F224-I236 HydrophobicContact CZ-CG1 4.38Å; Q232-I236 HydrophobicContact CG-CD1 4.34Å; Q232-I236 VanDerWaalsContact O-CG1 3.32Å; Q232-I236 WeakPolarHBondContact O-CG1 2.98Å; Q232-I236 PolarHBondContact O-N 3.37Å; L233-I236 WeakPolarHBondContact O-CB 3.18Å; L233-I236 PolarHBondContact O-N 2.8Å; N234-I236 VanDerWaalsContact C-N 3.29Å; N234-I236 PolarHBondContact O-N 3.34Å; I236-K238 PolarHBondContact O-N 2.9Å; I236-V239 PolarHBondContact O-N 3.25Å; I236-T240 HydrophobicContact CG2-CG2 4.17Å; I236-T240 PolarHBondContact O-N 2.99Å; I236-T240 PolarHBondContact O-OG1 2.92Å; I236-L292 HydrophobicContact CG2-CD2 3.79Å
237M94.1Very high90.9Very high3 Ų347.1 Ų47.12%0.01525%0.25CS..Hα-helixtrans-63.3-27.1-177.5-67.6-176.7-60.700113.2L233 N234 V239 G241 T242 L260 L263 I266L233-M237 HydrophobicContact CD1-CG 4.48Å; L233-M237 HydrophobicContact CD2-CE 4.34Å; L233-M237 HydrophobicContact CG-CE 3.88Å; L233-M237 HydrophobicContact CG-SD 4.37Å; L233-M237 PolarHBondContact O-N 2.85Å; N234-M237 PolarHBondContact O-N 2.88Å; N234-M237 WeakPolarHBondContact OD1-CE 3.46Å; M237-V239 PolarHBondContact O-N 3.16Å; M237-V239 VanDerWaalsContact O-N 3.15Å; M237-G241 CarbonylContact O-C 3.59Å; M237-G241 WeakPolarHBondContact O-CA 3.37Å; M237-G241 PolarHBondContact O-N 3.12Å; M237-T242 HydrophobicContact SD-CG2 4.34Å; M237-L260 HydrophobicContact SD-CD2 4.5Å; M237-L263 HydrophobicContact CE-CD1 3.57Å; M237-L263 HydrophobicContact SD-CD1 3.62Å; M237-I266 HydrophobicContact CB-CD1 4.48Å
238K94.8Very high91Very high90 Ų9042.7 Ų42.739%0.39122%0.219SC..Hα-helixtrans-60.9-18.1171.3-79.3171.9-170.1169.60113.7N234 I236 K269N234-K238 VanDerWaalsContact O-CG 3.26Å; N234-K238 WeakPolarHBondContact O-CG 3.44Å; N234-K238 PolarHBondContact O-N 2.7Å; N234-K238 VanDerWaalsContact O-N 3.07Å; I236-K238 PolarHBondContact O-N 2.9Å; K238-K269 WeakPolarHBondContact O-CD 3.49Å; K238-K269 WeakPolarHBondContact O-CE 3.41Å; K238-K269 WeakPolarHBondContact O-CG 3.27Å; K238-K269 PolarHBondContact O-NZ 3.4Å
239V96.3Very high91.1Very high12 Ų1243.5 Ų43.57%0.07323%0.23CC..Hα-helixtrans-108.9-50.6177.8178.30000110.3L223 F224 I236 M237 G241 K269 L271 L274L223-V239 HydrophobicContact CD1-CG2 4.5Å; F224-V239 HydrophobicContact CD1-CG2 4.5Å; F224-V239 HydrophobicContact CE1-CB 3.84Å; F224-V239 HydrophobicContact CE1-CG1 4.47Å; F224-V239 HydrophobicContact CE1-CG2 3.73Å; F224-V239 HydrophobicContact CZ-CB 4.38Å; I236-V239 PolarHBondContact O-N 3.25Å; M237-V239 PolarHBondContact O-N 3.16Å; M237-V239 VanDerWaalsContact O-N 3.15Å; V239-G241 VanDerWaalsContact C-N 3.31Å; V239-G241 PolarHBondContact O-N 3.04Å; V239-K269 PolarHBondContact O-N 3.47Å; V239-L271 HydrophobicContact CG1-CD2 3.93Å; V239-L274 HydrophobicContact CB-CD1 4.49Å; V239-L274 HydrophobicContact CG1-CD1 3.76Å; V239-L274 HydrophobicContact CG2-CD1 4.14Å
240T95.7Very high91.3Very high19 Ų1942 Ų4212%0.11722%0.222CC..Hα-helixtrans-79.8-13.2-174.658.60000114W208 I236 K268 L292W208-T240 HydrophobicContact CH2-CG2 3.99Å; W208-T240 HydrophobicContact CZ3-CG2 4.46Å; I236-T240 HydrophobicContact CG2-CG2 4.17Å; I236-T240 PolarHBondContact O-N 2.99Å; I236-T240 PolarHBondContact O-OG1 2.92Å; T240-K268 WeakPolarHBondContact O-CB 3.5Å; T240-L292 HydrophobicContact CG2-CD2 4.44Å; T240-L292 HydrophobicContact CG2-CG 4.44Å
241G94.6Very high91.2Very high2 Ų238.8 Ų38.82%0.02121%0.205CC..  trans79.1172.3-165.400000112M237 V239 I266M237-G241 CarbonylContact O-C 3.59Å; M237-G241 WeakPolarHBondContact O-CA 3.37Å; M237-G241 PolarHBondContact O-N 3.12Å; V239-G241 VanDerWaalsContact C-N 3.31Å; V239-G241 PolarHBondContact O-N 3.04Å; G241-I266 CarbonylContact C-O 3.57Å; G241-I266 WeakPolarHBondContact CA-O 3.33Å
242T92.1Very high90.9Very high35 Ų3541.8 Ų41.822%0.21522%0.221CC..SBendtrans-70.4145.3170.843.10000110.8M237 Q264 I266M237-T242 HydrophobicContact SD-CG2 4.34Å; T242-Q264 WeakPolarHBondContact CG2-O 3.41Å; T242-I266 HydrophobicContact CG2-CB 4.07Å; T242-I266 HydrophobicContact CG2-CG1 4.13Å; T242-I266 PolarHBondContact N-O 2.74Å; T242-I266 PolarHBondContact OG1-N 3.01Å; T242-I266 VanDerWaalsContact OG1-N 3.11Å; T242-I266 PolarHBondContact OG1-O 3.35Å
243P90Very high90.6Very high16 Ų1643.7 Ų43.710%0.10424%0.235CC..PPolyproline II helixtrans-61.1150.8-180-6.714.3000113.4F247 I248 L260 L292P243-F247 HydrophobicContact CB-CD1 3.37Å; P243-F247 HydrophobicContact CB-CE1 3.94Å; P243-F247 HydrophobicContact CB-CG 4.32Å; P243-F247 HydrophobicContact CG-CD1 4.21Å; P243-F247 HydrophobicContact CG-CE1 4.33Å; P243-I248 HydrophobicContact CB-CG1 4.17Å; P243-L260 HydrophobicContact CG-CD1 4.29Å; P243-L260 HydrophobicContact CG-CD2 4.18Å; P243-L292 HydrophobicContact CB-CD1 4.02Å; P243-L292 HydrophobicContact CG-CD1 3.94Å
244S89.8Confident90.3Very high66 Ų6649.3 Ų49.346%0.46226%0.261SS..PPolyproline II helixtrans-70159.3175.669.80000111.1E246 F247 I248S244-E246 PolarHBondContact O-N 3.24Å; S244-F247 PolarHBondContact O-N 2.9Å; S244-F247 PolarHBondContact OG-N 3.48Å; S244-F247 VanDerWaalsContact OG-N 3.16Å; S244-I248 VanDerWaalsContact O-CG1 3.31Å; S244-I248 WeakPolarHBondContact O-CG1 3.39Å; S244-I248 PolarHBondContact O-N 3.35Å
245Q88.5Confident90Very high115 Ų11553 Ų5354%0.53728%0.281SS..Hα-helixtrans-66.2-29.4175.6-77.4-58.812.200113.5I248 S249Q245-I248 PolarHBondContact O-N 3.49Å; Q245-S249 PolarHBondContact O-N 3.28Å
246E89.3Confident89.4Confident139 Ų13951.4 Ų51.465%0.6528%0.276SS*.Hα-helixtrans-59.6-50.8172.1-177.7175.6-171.200110.5S244 I248 S249 K250S244-E246 PolarHBondContact O-N 3.24Å; E246-I248 PolarHBondContact O-N 3.32Å; E246-S249 WeakPolarHBondContact O-CB 3.4Å; E246-S249 PolarHBondContact O-N 3.13Å; E246-S249 VanDerWaalsContact O-N 3.16Å; E246-S249 PolarHBondContact O-OG 3.46Å; E246-K250 PolarHBondContact O-N 3.26Å
247F88.4Confident89.1Confident4 Ų452.8 Ų52.82%0.01828%0.282CS..Hα-helixtrans-62.9-43177175.2-101.2000112.6W198 M199 P243 S244 S249 K250 L251 L292 D293W198-F247 AromaticContact CH2-CE1 3.76Å; W198-F247 HydrophobicContact CH2-CE1 3.76Å; W198-F247 HydrophobicContact CH2-CZ 4.18Å; W198-F247 AromaticContact CZ2-CE1 3.68Å; W198-F247 HydrophobicContact CZ2-CE1 3.68Å; W198-F247 AromaticContact CZ2-CZ 3.6Å; W198-F247 HydrophobicContact CZ2-CZ 3.6Å; M199-F247 HydrophobicContact CE-CE2 3.62Å; M199-F247 HydrophobicContact CE-CZ 3.6Å; P243-F247 HydrophobicContact CB-CD1 3.37Å; P243-F247 HydrophobicContact CB-CE1 3.94Å; P243-F247 HydrophobicContact CB-CG 4.32Å; P243-F247 HydrophobicContact CG-CD1 4.21Å; P243-F247 HydrophobicContact CG-CE1 4.33Å; S244-F247 PolarHBondContact O-N 2.9Å; S244-F247 PolarHBondContact OG-N 3.48Å; S244-F247 VanDerWaalsContact OG-N 3.16Å; F247-S249 PolarHBondContact O-N 3.38Å; F247-K250 WeakPolarHBondContact O-CB 3.3Å; F247-K250 PolarHBondContact O-N 3.25Å; F247-L251 HydrophobicContact CE1-CD2 4.14Å; F247-L251 HydrophobicContact CZ-CD2 4.16Å; F247-L292 WeakPolarHBondContact CZ-O 3.37Å; F247-D293 HydrophobicContact CD2-CB 3.61Å; F247-D293 VanDerWaalsContact CE2-CA 3.5Å; F247-D293 HydrophobicContact CE2-CB 4Å
248I88.7Confident88.8Confident6 Ų655.8 Ų55.83%0.03130%0.303CS..Hα-helixtrans-58.6-34.3177.5-67.6168.1000110.9P243 S244 Q245 E246 K250 L251 K257 L260 K261P243-I248 HydrophobicContact CB-CG1 4.17Å; S244-I248 VanDerWaalsContact O-CG1 3.31Å; S244-I248 WeakPolarHBondContact O-CG1 3.39Å; S244-I248 PolarHBondContact O-N 3.35Å; Q245-I248 PolarHBondContact O-N 3.49Å; E246-I248 PolarHBondContact O-N 3.32Å; I248-K250 VanDerWaalsContact C-N 3.28Å; I248-K250 PolarHBondContact O-N 2.87Å; I248-L251 WeakPolarHBondContact O-CG 3.35Å; I248-L251 PolarHBondContact O-N 2.82Å; I248-K257 HydrophobicContact CG2-CB 4.24Å; I248-K257 HydrophobicContact CG2-CG 4.17Å; I248-K257 WeakPolarHBondContact O-CG 2.73Å; I248-L260 HydrophobicContact CD1-CB 4.07Å; I248-L260 HydrophobicContact CG1-CB 4.23Å; I248-L260 HydrophobicContact CG1-CD1 4.21Å; I248-K261 HydrophobicContact CG2-CG 4.06Å
249S87.4Confident88.4Confident82 Ų8255.7 Ų55.757%0.57330%0.301SS*.Hα-helixtrans-67.1-26.9178.4790000113.7Q245 E246 F247 L251Q245-S249 PolarHBondContact O-N 3.28Å; E246-S249 WeakPolarHBondContact O-CB 3.4Å; E246-S249 PolarHBondContact O-N 3.13Å; E246-S249 VanDerWaalsContact O-N 3.16Å; E246-S249 PolarHBondContact O-OG 3.46Å; F247-S249 PolarHBondContact O-N 3.38Å; S249-L251 VanDerWaalsContact C-N 3.31Å; S249-L251 PolarHBondContact O-N 3.43Å
250K87Confident87.8Confident70 Ų7055.5 Ų55.530%0.30430%0.3SS..THydrogen-bonded Turntrans-76.9-11.1178.1-61-177.6-179.4-177.20114E246 F247 I248 D293 E295E246-K250 PolarHBondContact O-N 3.26Å; F247-K250 WeakPolarHBondContact O-CB 3.3Å; F247-K250 PolarHBondContact O-N 3.25Å; I248-K250 VanDerWaalsContact C-N 3.28Å; I248-K250 PolarHBondContact O-N 2.87Å; K250-D293 IonicContact NZ-OD1 3.96Å; K250-D293 IonicContact NZ-OD2 2.72Å; K250-D293 PolarHBondContact NZ-OD2 3.23Å; K250-E295 IonicContact NZ-OE2 2.85Å; K250-E295 PolarHBondContact NZ-OE2 2.98Å
251L84.8Confident87.4Confident3 Ų360.1 Ų60.12%0.01632%0.318CS..  trans-68.1146.9-178.4-58.3-179.7000111.3W198 M199 F247 I248 S249 A256 K257 L260W198-L251 HydrophobicContact CB-CD2 4.45Å; W198-L251 HydrophobicContact CD2-CD1 4.34Å; W198-L251 HydrophobicContact CD2-CD2 3.57Å; W198-L251 HydrophobicContact CE3-CD1 3.85Å; W198-L251 HydrophobicContact CE3-CD2 3.91Å; W198-L251 HydrophobicContact CG-CD2 3.86Å; W198-L251 HydrophobicContact CZ2-CD2 4.37Å; W198-L251 HydrophobicContact CZ3-CD1 4.23Å; W198-L251 HydrophobicContact CZ3-CD2 4.47Å; M199-L251 HydrophobicContact CE-CD2 3.21Å; F247-L251 HydrophobicContact CE1-CD2 4.14Å; F247-L251 HydrophobicContact CZ-CD2 4.16Å; I248-L251 WeakPolarHBondContact O-CG 3.35Å; I248-L251 PolarHBondContact O-N 2.82Å; S249-L251 VanDerWaalsContact C-N 3.31Å; S249-L251 PolarHBondContact O-N 3.43Å; L251-A256 HydrophobicContact CD1-CB 4.38Å; L251-K257 HydrophobicContact CB-CG 3.88Å; L251-K257 HydrophobicContact CD1-CG 4.17Å; L251-K257 WeakPolarHBondContact O-CE 3.38Å; L251-K257 PolarHBondContact O-NZ 3.46Å; L251-L260 HydrophobicContact CD1-CD1 3.38Å
252D84.3Confident87.1Confident103 Ų10366.2 Ų66.255%0.55135%0.35SS*.SBendtrans-86.3-31.1175.7-65.3-43.1000111.5W198 M199 H200W198-D252 PolarHBondContact O-N 3.36Å; M199-D252 WeakPolarHBondContact CA-OD2 3.18Å; H200-D252 IonicContact CD2-OD2 2.78Å
253S83.9Confident86.8Confident42 Ų4266.5 Ų66.529%0.29435%0.35SS..  trans-85.8116.8-176.6173.70000112.7D255 A256 K257S253-D255 VanDerWaalsContact C-N 3.33Å; S253-D255 PolarHBondContact O-N 3.27Å; S253-A256 PolarHBondContact O-N 2.95Å; S253-A256 PolarHBondContact OG-N 3.28Å; S253-K257 WeakPolarHBondContact O-CG 3.19Å; S253-K257 PolarHBondContact O-N 3.01Å
254E85.4Confident86.8Confident121 Ų12174 Ų7457%0.56538%0.384SS*.Hα-helixtrans-63.7-35.8174.3-71.1-55.1132.300113A256 K257 S258E254-A256 VanDerWaalsContact C-N 3.34Å; E254-A256 PolarHBondContact O-N 3.03Å; E254-K257 WeakPolarHBondContact O-CB 3.1Å; E254-K257 PolarHBondContact O-N 2.84Å; E254-K257 WeakPolarHBondContact OE1-CD 3.22Å; E254-K257 IonicContact OE1-NZ 3.85Å; E254-K257 PolarHBondContact OE1-NZ 3.06Å; E254-S258 WeakPolarHBondContact O-CB 3.3Å; E254-S258 PolarHBondContact O-N 3.24Å
255D84.3Confident86.9Confident136 Ų13679.6 Ų79.673%0.72740%0.4SS*.Hα-helixtrans-62.4-43.6174.9-69.4-26.9000111.1S253 S258 Y259S253-D255 VanDerWaalsContact C-N 3.33Å; S253-D255 PolarHBondContact O-N 3.27Å; D255-S258 PolarHBondContact O-N 3.35Å; D255-Y259 WeakPolarHBondContact O-CB 3.38Å; D255-Y259 PolarHBondContact O-N 3.01Å
256A83.3Confident87.2Confident16 Ų1677.4 Ų77.413%0.13239%0.391CS..Hα-helixtrans-64.3-42.2176.300000111.9W198 L251 S253 E254 S258 Y259 L260W198-A256 HydrophobicContact CB-CB 3.99Å; W198-A256 HydrophobicContact CE3-CB 4.14Å; L251-A256 HydrophobicContact CD1-CB 4.38Å; S253-A256 PolarHBondContact O-N 2.95Å; S253-A256 PolarHBondContact OG-N 3.28Å; E254-A256 VanDerWaalsContact C-N 3.34Å; E254-A256 PolarHBondContact O-N 3.03Å; A256-S258 PolarHBondContact O-N 3.04Å; A256-Y259 PolarHBondContact O-N 2.98Å; A256-L260 VanDerWaalsContact O-CG 3.31Å; A256-L260 WeakPolarHBondContact O-CG 3.5Å; A256-L260 PolarHBondContact O-N 2.9Å
257K88.1Confident87.5Confident28 Ų2879.3 Ų79.312%0.12240%0.4CS..Hα-helixtrans-58.4-48.4174.1-70.8176.8-170.4163.80111.5I248 L251 S253 E254 L260 K261I248-K257 HydrophobicContact CG2-CB 4.24Å; I248-K257 HydrophobicContact CG2-CG 4.17Å; I248-K257 WeakPolarHBondContact O-CG 2.73Å; L251-K257 HydrophobicContact CB-CG 3.88Å; L251-K257 HydrophobicContact CD1-CG 4.17Å; L251-K257 WeakPolarHBondContact O-CE 3.38Å; L251-K257 PolarHBondContact O-NZ 3.46Å; S253-K257 WeakPolarHBondContact O-CG 3.19Å; S253-K257 PolarHBondContact O-N 3.01Å; E254-K257 WeakPolarHBondContact O-CB 3.1Å; E254-K257 PolarHBondContact O-N 2.84Å; E254-K257 WeakPolarHBondContact OE1-CD 3.22Å; E254-K257 IonicContact OE1-NZ 3.85Å; E254-K257 PolarHBondContact OE1-NZ 3.06Å; K257-L260 PolarHBondContact O-N 3.01Å; K257-K261 WeakPolarHBondContact O-CB 3.23Å; K257-K261 WeakPolarHBondContact O-CG 3.44Å; K257-K261 PolarHBondContact O-N 3.43Å
258S88Confident87.8Confident67 Ų6783.9 Ų83.947%0.46942%0.42SS..Hα-helixtrans-61.3-46.2-179.8-174.90000111.2E254 D255 A256 L260 K261 N262E254-S258 WeakPolarHBondContact O-CB 3.3Å; E254-S258 PolarHBondContact O-N 3.24Å; D255-S258 PolarHBondContact O-N 3.35Å; A256-S258 PolarHBondContact O-N 3.04Å; S258-L260 PolarHBondContact O-N 2.96Å; S258-K261 PolarHBondContact O-N 3.23Å; S258-N262 PolarHBondContact O-N 3.05Å; S258-N262 PolarHBondContact O-ND2 3.32Å
259Y85.7Confident88.2Confident87 Ų8788 Ų8834%0.34144%0.438SS..Hα-helixtrans-57.2-52176.9176.1-101000112L233 D255 A256 K261 N262 L263L233-Y259 HydrophobicContact CD2-CE1 3.8Å; D255-Y259 WeakPolarHBondContact O-CB 3.38Å; D255-Y259 PolarHBondContact O-N 3.01Å; A256-Y259 PolarHBondContact O-N 2.98Å; Y259-K261 PolarHBondContact O-N 3.11Å; Y259-N262 PolarHBondContact O-N 2.96Å; Y259-L263 HydrophobicContact CD1-CD1 4.43Å; Y259-L263 HydrophobicContact CE1-CD1 3.96Å; Y259-L263 HydrophobicContact CE1-CD2 4.21Å; Y259-L263 HydrophobicContact CE1-CG 4.34Å; Y259-L263 HydrophobicContact CE2-CD2 4.41Å; Y259-L263 PolarHBondContact O-N 2.76Å
260L85.6Confident88.6Confident9 Ų988.6 Ų88.65%0.04743%0.434CS..Hα-helixtrans-67.7-36.1-176.6-67.4171.2000113.7W198 M237 P243 I248 L251 A256 K257 S258 N262 L263W198-L260 HydrophobicContact CE3-CD1 3.82Å; W198-L260 HydrophobicContact CH2-CD1 3.96Å; W198-L260 HydrophobicContact CZ3-CD1 3.16Å; W198-L260 HydrophobicContact CZ3-CD2 4.03Å; W198-L260 HydrophobicContact CZ3-CG 4Å; M237-L260 HydrophobicContact SD-CD2 4.5Å; P243-L260 HydrophobicContact CG-CD1 4.29Å; P243-L260 HydrophobicContact CG-CD2 4.18Å; I248-L260 HydrophobicContact CD1-CB 4.07Å; I248-L260 HydrophobicContact CG1-CB 4.23Å; I248-L260 HydrophobicContact CG1-CD1 4.21Å; L251-L260 HydrophobicContact CD1-CD1 3.38Å; A256-L260 VanDerWaalsContact O-CG 3.31Å; A256-L260 WeakPolarHBondContact O-CG 3.5Å; A256-L260 PolarHBondContact O-N 2.9Å; K257-L260 PolarHBondContact O-N 3.01Å; S258-L260 PolarHBondContact O-N 2.96Å; L260-N262 PolarHBondContact O-N 3.3Å; L260-L263 HydrophobicContact CD2-CD1 3.75Å; L260-L263 PolarHBondContact O-N 3.06Å
261K87.1Confident89Confident115 Ų11585.5 Ų85.550%0.542%0.421SS..Hα-helixtrans-63-29.3177.2-76.3174.1-177.5175.90112.5I248 K257 S258 Y259I248-K261 HydrophobicContact CG2-CG 4.06Å; K257-K261 WeakPolarHBondContact O-CB 3.23Å; K257-K261 WeakPolarHBondContact O-CG 3.44Å; K257-K261 PolarHBondContact O-N 3.43Å; S258-K261 PolarHBondContact O-N 3.23Å; Y259-K261 PolarHBondContact O-N 3.11Å
262N87.1Confident89.6Confident130 Ų13089.9 Ų89.970%0.69544%0.44SS*.THydrogen-bonded Turntrans-89.8-4.2-178.7-68.5-39.8000113.5S258 Y259 L260S258-N262 PolarHBondContact O-N 3.05Å; S258-N262 PolarHBondContact O-ND2 3.32Å; Y259-N262 PolarHBondContact O-N 2.96Å; L260-N262 PolarHBondContact O-N 3.3Å
263L86.8Confident90.2Very high41 Ų4189.5 Ų89.522%0.21544%0.442CS..SBendtrans-71.4143.2176-68.9176.6000111.3M237 Y259 L260 K265M237-L263 HydrophobicContact CE-CD1 3.57Å; M237-L263 HydrophobicContact SD-CD1 3.62Å; Y259-L263 HydrophobicContact CD1-CD1 4.43Å; Y259-L263 HydrophobicContact CE1-CD1 3.96Å; Y259-L263 HydrophobicContact CE1-CD2 4.21Å; Y259-L263 HydrophobicContact CE1-CG 4.34Å; Y259-L263 HydrophobicContact CE2-CD2 4.41Å; Y259-L263 PolarHBondContact O-N 2.76Å; L260-L263 HydrophobicContact CD2-CD1 3.75Å; L260-L263 PolarHBondContact O-N 3.06Å; L263-K265 PolarHBondContact O-N 2.82Å
264Q89.9Confident90.7Very high174 Ų17489.9 Ų89.981%0.81344%0.44SS*.PPolyproline II helixtrans-59.8129.9167.5-177.5178.80.600109.1T242 I266T242-Q264 WeakPolarHBondContact CG2-O 3.41Å; Q264-I266 PolarHBondContact O-N 2.83Å
265K91.9Very high91.3Very high184 Ų18484.3 Ų84.380%0.841%0.414SS*.PPolyproline II helixtrans-60.5130.8177.7-71.5-172.8176.9-177.80110.8L263L263-K265 PolarHBondContact O-N 2.82Å
266I94.8Very high91.8Very high68 Ų6881.9 Ų81.935%0.34941%0.406SS..  trans-120.1127.5175.9-58.1173.5000107.3M237 G241 T242 Q264M237-I266 HydrophobicContact CB-CD1 4.48Å; G241-I266 CarbonylContact C-O 3.57Å; G241-I266 WeakPolarHBondContact CA-O 3.33Å; T242-I266 HydrophobicContact CG2-CB 4.07Å; T242-I266 HydrophobicContact CG2-CG1 4.13Å; T242-I266 PolarHBondContact N-O 2.74Å; T242-I266 PolarHBondContact OG1-N 3.01Å; T242-I266 VanDerWaalsContact OG1-N 3.11Å; T242-I266 PolarHBondContact OG1-O 3.35Å; Q264-I266 PolarHBondContact O-N 2.83Å
267E95Very high92.4Very high179 Ų17986.2 Ų86.284%0.83643%0.431SS*.PPolyproline II helixtrans-74144.6173.6-66.9-173.8171.600111K269E267-K269 PolarHBondContact O-N 2.86Å
268K95.8Very high92.8Very high101 Ų10185 Ų8544%0.43943%0.426SS..PPolyproline II helixtrans-60.9134174.3-179.4177177.3177.40109.7T240 E287T240-K268 WeakPolarHBondContact O-CB 3.5Å; K268-E287 WeakPolarHBondContact CE-OE2 3.45Å; K268-E287 IonicContact NZ-OE1 2.63Å; K268-E287 IonicContact NZ-OE2 3.33Å; K268-E287 PolarHBondContact NZ-OE2 2.99Å
269K95.6Very high93.3Very high93 Ų9383.8 Ų83.840%0.40442%0.417SS..PPolyproline II helixtrans-74.8142.3175.8-75.9-172178169.40110.9K238 V239 E267 L271 L274K238-K269 WeakPolarHBondContact O-CD 3.49Å; K238-K269 WeakPolarHBondContact O-CE 3.41Å; K238-K269 WeakPolarHBondContact O-CG 3.27Å; K238-K269 PolarHBondContact O-NZ 3.4Å; V239-K269 PolarHBondContact O-N 3.47Å; E267-K269 PolarHBondContact O-N 2.86Å; K269-L271 PolarHBondContact O-N 2.94Å; K269-L274 HydrophobicContact CB-CD1 4.17Å; K269-L274 HydrophobicContact CD-CD1 4.21Å; K269-L274 HydrophobicContact CD-CD2 4.08Å; K269-L274 HydrophobicContact CD-CG 4.41Å
270D96.4Very high93.9Very high93 Ų9384.3 Ų84.350%0.49743%0.433SS..  trans-66.4114.6166.2174.410.4000109.8K272 T273D270-K272 PolarHBondContact O-N 2.97Å; D270-K272 VanDerWaalsContact OD1-CB 3.32Å; D270-K272 WeakPolarHBondContact OD1-CB 3.45Å; D270-K272 PolarHBondContact OD1-N 2.89Å; D270-T273 HydrophobicContact CB-CG2 3.99Å; D270-T273 WeakPolarHBondContact O-CB 3.49Å; D270-T273 PolarHBondContact O-N 2.82Å; D270-T273 PolarHBondContact O-OG1 3.42Å
271L96.6Very high94.5Very high5 Ų588.1 Ų88.13%0.02645%0.451CS..Hα-helixtrans-62.8-23.2179.9-61.3-169.9000112.6V239 K269 T273 L274 F275 L283 L286 E287V239-L271 HydrophobicContact CG1-CD2 3.93Å; K269-L271 PolarHBondContact O-N 2.94Å; L271-T273 PolarHBondContact O-N 3.33Å; L271-L274 HydrophobicContact CD2-CD1 3.98Å; L271-L274 PolarHBondContact O-N 3.06Å; L271-L274 VanDerWaalsContact O-N 3.16Å; L271-F275 HydrophobicContact CB-CD2 4.25Å; L271-F275 HydrophobicContact CD2-CE2 4.27Å; L271-F275 WeakPolarHBondContact O-CD2 3.4Å; L271-F275 PolarHBondContact O-N 2.63Å; L271-L283 HydrophobicContact CB-CD2 3.88Å; L271-L286 HydrophobicContact CD1-CB 3.74Å; L271-E287 VanDerWaalsContact CD1-CD 3.49Å; L271-E287 HydrophobicContact CD1-CG 3.79Å; L271-E287 WeakPolarHBondContact CD1-OE1 3.48Å; L271-E287 WeakPolarHBondContact CG-OE1 3.26Å
272K97.3Very high95Very high96 Ų9682.6 Ų82.642%0.41743%0.427SS..Hα-helixtrans-64.7-32174.1-171.857.9172.9168.20111.8D270 F275 P276 A278 L283D270-K272 PolarHBondContact O-N 2.97Å; D270-K272 VanDerWaalsContact OD1-CB 3.32Å; D270-K272 WeakPolarHBondContact OD1-CB 3.45Å; D270-K272 PolarHBondContact OD1-N 2.89Å; K272-F275 CarbonylContact O-C 3.46Å; K272-P276 PolarHBondContact NZ-O 3.22Å; K272-P276 VanDerWaalsContact O-CA 3.25Å; K272-P276 WeakPolarHBondContact O-CA 3.44Å; K272-A278 PolarHBondContact NZ-O 3.37Å; K272-L283 HydrophobicContact CB-CD1 3.9Å; K272-L283 HydrophobicContact CD-CD1 3.57Å; K272-L283 HydrophobicContact CG-CD1 4.34Å
273T95.9Very high95.5Very high95 Ų9577.2 Ų77.258%0.58340%0.398SS*.Hα-helixtrans-71.1-33.5174.169.80000112.4D270 L271D270-T273 HydrophobicContact CB-CG2 3.99Å; D270-T273 WeakPolarHBondContact O-CB 3.49Å; D270-T273 PolarHBondContact O-N 2.82Å; D270-T273 PolarHBondContact O-OG1 3.42Å; L271-T273 PolarHBondContact O-N 3.33Å
274L95.1Very high96.1Very high50 Ų5077.7 Ų77.726%0.26241%0.408SS..Hα-helixtrans-77.5-38.2178.4-67.2179.1000112.4V239 K269 L271 P276V239-L274 HydrophobicContact CB-CD1 4.49Å; V239-L274 HydrophobicContact CG1-CD1 3.76Å; V239-L274 HydrophobicContact CG2-CD1 4.14Å; K269-L274 HydrophobicContact CB-CD1 4.17Å; K269-L274 HydrophobicContact CD-CD1 4.21Å; K269-L274 HydrophobicContact CD-CD2 4.08Å; K269-L274 HydrophobicContact CD-CG 4.41Å; L271-L274 HydrophobicContact CD2-CD1 3.98Å; L271-L274 PolarHBondContact O-N 3.06Å; L271-L274 VanDerWaalsContact O-N 3.16Å; L274-P276 VanDerWaalsContact C-CD 3.45Å; L274-P276 WeakPolarHBondContact O-CD 3.46Å
275F96.8Very high96.5Very high4 Ų469.5 Ų69.52%0.01837%0.369CS..  trans-122.769.7-178.8-46.1-80.9000110.3A215 L218 Q219 L223 L271 K272 T277 A278 L283 L286A215-F275 HydrophobicContact CB-CE1 4Å; A215-F275 HydrophobicContact CB-CZ 3.69Å; L218-F275 HydrophobicContact CB-CD1 4.1Å; Q219-F275 HydrophobicContact CB-CD1 4.11Å; Q219-F275 HydrophobicContact CB-CE1 4.04Å; Q219-F275 HydrophobicContact CG-CE1 4.16Å; L223-F275 HydrophobicContact CD1-CZ 3.97Å; L271-F275 HydrophobicContact CB-CD2 4.25Å; L271-F275 HydrophobicContact CD2-CE2 4.27Å; L271-F275 WeakPolarHBondContact O-CD2 3.4Å; L271-F275 PolarHBondContact O-N 2.63Å; K272-F275 CarbonylContact O-C 3.46Å; F275-T277 PolarHBondContact O-N 3.11Å; F275-T277 VanDerWaalsContact O-N 3.14Å; F275-A278 HydrophobicContact CB-CB 3.77Å; F275-A278 PolarHBondContact O-N 3.03Å; F275-L283 HydrophobicContact CB-CD2 3.94Å; F275-L283 HydrophobicContact CD2-CD2 3.91Å; F275-L283 HydrophobicContact CG-CD2 4.34Å; F275-L286 HydrophobicContact CD2-CD1 3.93Å; F275-L286 HydrophobicContact CE2-CD1 3.68Å; F275-L286 HydrophobicContact CZ-CD1 4.12Å
276P95.8Very high96.8Very high85 Ų8560.7 Ų60.755%0.55233%0.331SS*.THydrogen-bonded Turntrans-60.2-31.6-172.922.9-34000112.9K272 L274K272-P276 PolarHBondContact NZ-O 3.22Å; K272-P276 VanDerWaalsContact O-CA 3.25Å; K272-P276 WeakPolarHBondContact O-CA 3.44Å; L274-P276 VanDerWaalsContact C-CD 3.45Å; L274-P276 WeakPolarHBondContact O-CD 3.46Å
277T94.9Very high97Very high107 Ų10760.3 Ų60.366%0.65633%0.328SS*.THydrogen-bonded Turntrans-86.4-9-178.960.90000114.3F275F275-T277 PolarHBondContact O-N 3.11Å; F275-T277 VanDerWaalsContact O-N 3.14Å
278A97.3Very high97.1Very high2 Ų257.2 Ų57.22%0.01731%0.309CS..SBendtrans-77.2145.8-178.900000111.5L218 K272 F275 A282 L283L218-A278 HydrophobicContact CD1-CB 4.41Å; L218-A278 HydrophobicContact CD2-CB 4.17Å; K272-A278 PolarHBondContact NZ-O 3.37Å; F275-A278 HydrophobicContact CB-CB 3.77Å; F275-A278 PolarHBondContact O-N 3.03Å; A278-A282 HydrophobicContact CB-CB 4.38Å; A278-L283 HydrophobicContact CB-CD2 4.02Å; A278-L283 HydrophobicContact CB-CG 4.22Å
279S97.8Very high97.2Very high42 Ų4252.4 Ų52.429%0.29429%0.288SS..  trans-64.8157.6171.776.20000112E125 Q281 A282 L283E125-S279 WeakPolarHBondContact OE1-CB 3.46Å; E125-S279 PolarHBondContact OE1-N 3.24Å; E125-S279 PolarHBondContact OE1-OG 3.02Å; E125-S279 PolarHBondContact OE2-N 3.43Å; S279-Q281 PolarHBondContact O-N 3.02Å; S279-Q281 PolarHBondContact OG-N 3.45Å; S279-A282 PolarHBondContact O-N 3.49Å; S279-A282 PolarHBondContact OG-N 3.11Å; S279-A282 VanDerWaalsContact OG-N 3.1Å; S279-L283 WeakPolarHBondContact O-CG 3.42Å; S279-L283 PolarHBondContact O-N 3.15Å; S279-L283 VanDerWaalsContact O-N 3.1Å
280S98Very high97.3Very high97 Ų9748.4 Ų48.468%0.67827%0.271SS*.Hα-helixtrans-59.7-32174.450.90000112.5A284S280-A284 WeakPolarHBondContact O-CB 3.49Å; S280-A284 PolarHBondContact O-N 3.02Å
281Q98.1Very high97.3Very high89 Ų8945.9 Ų45.942%0.41626%0.257SS..Hα-helixtrans-71.3-41.9177.6-68.2-174.7-7.800112S279 L283 A284 V285 Y308S279-Q281 PolarHBondContact O-N 3.02Å; S279-Q281 PolarHBondContact OG-N 3.45Å; Q281-L283 VanDerWaalsContact C-N 3.31Å; Q281-L283 PolarHBondContact O-N 3.02Å; Q281-A284 PolarHBondContact O-N 2.93Å; Q281-V285 WeakPolarHBondContact O-CG2 3.03Å; Q281-V285 PolarHBondContact O-N 2.9Å; Q281-Y308 HydrophobicContact CB-CD2 3.72Å; Q281-Y308 HydrophobicContact CB-CG 4.32Å
282A98.3Very high97.1Very high0 Ų046.6 Ų46.60%026%0.261CS..Hα-helixtrans-61.4-41.6174.100000111.7E125 M214 A278 S279 V285 L286 Y308E125-A282 VanDerWaalsContact OE1-CB 3.3Å; E125-A282 WeakPolarHBondContact OE1-CB 3.19Å; M214-A282 HydrophobicContact CE-CB 3.74Å; M214-A282 WeakPolarHBondContact CE-O 3.31Å; A278-A282 HydrophobicContact CB-CB 4.38Å; S279-A282 PolarHBondContact O-N 3.49Å; S279-A282 PolarHBondContact OG-N 3.11Å; S279-A282 VanDerWaalsContact OG-N 3.1Å; A282-V285 PolarHBondContact O-N 3.3Å; A282-L286 PolarHBondContact O-N 3.46Å; A282-L286 VanDerWaalsContact O-N 3.12Å; A282-Y308 HydrophobicContact CB-CD2 4.2Å; A282-Y308 HydrophobicContact CB-CE2 3.65Å
283L98.4Very high96.8Very high17 Ų1743 Ų439%0.08925%0.246CC..Hα-helixtrans-62.6-44174.7-65.3-179.6000111.7L271 K272 F275 A278 S279 Q281 V285 L286 E287L271-L283 HydrophobicContact CB-CD2 3.88Å; K272-L283 HydrophobicContact CB-CD1 3.9Å; K272-L283 HydrophobicContact CD-CD1 3.57Å; K272-L283 HydrophobicContact CG-CD1 4.34Å; F275-L283 HydrophobicContact CB-CD2 3.94Å; F275-L283 HydrophobicContact CD2-CD2 3.91Å; F275-L283 HydrophobicContact CG-CD2 4.34Å; A278-L283 HydrophobicContact CB-CD2 4.02Å; A278-L283 HydrophobicContact CB-CG 4.22Å; S279-L283 WeakPolarHBondContact O-CG 3.42Å; S279-L283 PolarHBondContact O-N 3.15Å; S279-L283 VanDerWaalsContact O-N 3.1Å; Q281-L283 VanDerWaalsContact C-N 3.31Å; Q281-L283 PolarHBondContact O-N 3.02Å; L283-V285 VanDerWaalsContact C-N 3.26Å; L283-V285 PolarHBondContact O-N 2.94Å; L283-L286 PolarHBondContact O-N 3.19Å; L283-L286 VanDerWaalsContact O-N 3.12Å; L283-E287 WeakPolarHBondContact O-CG 3.13Å; L283-E287 PolarHBondContact O-N 3.41Å
284A98.2Very high96.5Very high50 Ų5038.9 Ų38.941%0.41322%0.221SC..Hα-helixtrans-59.6-36.7176.700000112.4S280 Q281 E287 R288S280-A284 WeakPolarHBondContact O-CB 3.49Å; S280-A284 PolarHBondContact O-N 3.02Å; Q281-A284 PolarHBondContact O-N 2.93Å; A284-E287 PolarHBondContact O-N 3.5Å; A284-R288 VanDerWaalsContact O-CG 3.3Å; A284-R288 WeakPolarHBondContact O-CG 3.42Å; A284-R288 PolarHBondContact O-N 3.36Å
285V98.4Very high96.3Very high2 Ų243.3 Ų43.31%0.01224%0.24CC..Hα-helixtrans-63.7-48.6173.1174.90000111.1M214 Q281 A282 L283 E287 R288 M289 L306 Y308 F309M214-V285 HydrophobicContact CE-CB 4.09Å; M214-V285 HydrophobicContact CE-CG1 4.17Å; M214-V285 HydrophobicContact SD-CB 4.19Å; M214-V285 HydrophobicContact SD-CG1 3.64Å; Q281-V285 WeakPolarHBondContact O-CG2 3.03Å; Q281-V285 PolarHBondContact O-N 2.9Å; A282-V285 PolarHBondContact O-N 3.3Å; L283-V285 VanDerWaalsContact C-N 3.26Å; L283-V285 PolarHBondContact O-N 2.94Å; V285-E287 VanDerWaalsContact C-N 3.29Å; V285-E287 PolarHBondContact O-N 2.78Å; V285-R288 PolarHBondContact O-N 2.87Å; V285-R288 VanDerWaalsContact O-N 3.12Å; V285-M289 HydrophobicContact CG1-CE 3.58Å; V285-M289 HydrophobicContact CG1-CG 4.31Å; V285-M289 HydrophobicContact CG1-SD 3.74Å; V285-M289 WeakPolarHBondContact O-CG 3.37Å; V285-M289 PolarHBondContact O-N 2.64Å; V285-L306 HydrophobicContact CB-CD1 4.39Å; V285-L306 HydrophobicContact CG1-CD1 4.4Å; V285-L306 HydrophobicContact CG2-CB 4.29Å; V285-L306 HydrophobicContact CG2-CD1 3.88Å; V285-Y308 VanDerWaalsContact CG2-CB 3.4Å; V285-Y308 HydrophobicContact CG2-CD1 3.76Å; V285-Y308 HydrophobicContact CG2-CG 3.8Å; V285-F309 HydrophobicContact CG1-CE2 4.38Å; V285-F309 HydrophobicContact CG1-CZ 4.16Å; V285-F309 HydrophobicContact CG2-CE2 4.15Å; V285-F309 HydrophobicContact CG2-CZ 4.33Å
286L98.6Very high96.2Very high0 Ų048.6 Ų48.60%027%0.265CS..Hα-helixtrans-58.9-40.9177.1-70178.7000112.1G211 M214 A215 L218 L271 F275 A282 L283 R288 M289 L290G211-L286 WeakPolarHBondContact O-CD2 3.34Å; M214-L286 HydrophobicContact CB-CD2 3.99Å; M214-L286 HydrophobicContact CG-CD2 3.95Å; M214-L286 HydrophobicContact SD-CD2 4.07Å; M214-L286 HydrophobicContact SD-CG 4.39Å; A215-L286 HydrophobicContact CB-CD1 4.46Å; A215-L286 HydrophobicContact CB-CD2 4.12Å; L218-L286 HydrophobicContact CD1-CD1 3.86Å; L271-L286 HydrophobicContact CD1-CB 3.74Å; F275-L286 HydrophobicContact CD2-CD1 3.93Å; F275-L286 HydrophobicContact CE2-CD1 3.68Å; F275-L286 HydrophobicContact CZ-CD1 4.12Å; A282-L286 PolarHBondContact O-N 3.46Å; A282-L286 VanDerWaalsContact O-N 3.12Å; L283-L286 PolarHBondContact O-N 3.19Å; L283-L286 VanDerWaalsContact O-N 3.12Å; L286-R288 PolarHBondContact O-N 3.15Å; L286-M289 PolarHBondContact O-N 3.31Å; L286-L290 HydrophobicContact CB-CD1 4.37Å; L286-L290 HydrophobicContact CD2-CD1 4.2Å; L286-L290 WeakPolarHBondContact O-CB 3.49Å; L286-L290 PolarHBondContact O-N 2.9Å
287E97.8Very high96.2Very high59 Ų5944.7 Ų44.728%0.27624%0.239SC..Hα-helixtrans-61.2-31.1177.5-71.7-65.8-174.400113.2K268 L271 L283 A284 V285 L291K268-E287 WeakPolarHBondContact CE-OE2 3.45Å; K268-E287 IonicContact NZ-OE1 2.63Å; K268-E287 IonicContact NZ-OE2 3.33Å; K268-E287 PolarHBondContact NZ-OE2 2.99Å; L271-E287 VanDerWaalsContact CD1-CD 3.49Å; L271-E287 HydrophobicContact CD1-CG 3.79Å; L271-E287 WeakPolarHBondContact CD1-OE1 3.48Å; L271-E287 WeakPolarHBondContact CG-OE1 3.26Å; L283-E287 WeakPolarHBondContact O-CG 3.13Å; L283-E287 PolarHBondContact O-N 3.41Å; A284-E287 PolarHBondContact O-N 3.5Å; V285-E287 VanDerWaalsContact C-N 3.29Å; V285-E287 PolarHBondContact O-N 2.78Å; E287-L291 WeakPolarHBondContact O-CD2 3.4Å; E287-L291 WeakPolarHBondContact O-CG 3.22Å
288R98.3Very high96.3Very high115 Ų11539.8 Ų39.843%0.43421%0.209SC..Hα-helixtrans-84.8-25.8178.3-66.1-63.5-65.9-173.83.3113.1A284 V285 L286 V298 L306A284-R288 VanDerWaalsContact O-CG 3.3Å; A284-R288 WeakPolarHBondContact O-CG 3.42Å; A284-R288 PolarHBondContact O-N 3.36Å; V285-R288 PolarHBondContact O-N 2.87Å; V285-R288 VanDerWaalsContact O-N 3.12Å; L286-R288 PolarHBondContact O-N 3.15Å; R288-V298 HydrophobicContact CB-CG1 3.8Å; R288-V298 HydrophobicContact CB-CG2 3.98Å; R288-V298 HydrophobicContact CG-CG1 4.34Å; R288-V298 VanDerWaalsContact NE-CG1 3.31Å; R288-V298 PolarHBondContact O-N 3.46Å; R288-L306 HydrophobicContact CB-CD1 4.46Å
289M98.4Very high96.4Very high0 Ų041.2 Ų41.20%022%0.218CC..Hα-helixtrans-91.4-34.7-179.1-66.3-176.7170.700113.5L136 I207 V210 V285 L286 L291 R297 V298 A303L136-M289 HydrophobicContact CD1-CE 3.81Å; L136-M289 HydrophobicContact CD2-CE 3.76Å; L136-M289 HydrophobicContact CG-CE 4.26Å; I207-M289 HydrophobicContact CG2-CB 3.96Å; I207-M289 HydrophobicContact CG2-CG 3.65Å; I207-M289 HydrophobicContact CG2-SD 4.44Å; V210-M289 HydrophobicContact CB-SD 4.32Å; V210-M289 HydrophobicContact CG1-CE 4Å; V210-M289 HydrophobicContact CG1-SD 3.89Å; V285-M289 HydrophobicContact CG1-CE 3.58Å; V285-M289 HydrophobicContact CG1-CG 4.31Å; V285-M289 HydrophobicContact CG1-SD 3.74Å; V285-M289 WeakPolarHBondContact O-CG 3.37Å; V285-M289 PolarHBondContact O-N 2.64Å; L286-M289 PolarHBondContact O-N 3.31Å; M289-L291 VanDerWaalsContact C-N 3.3Å; M289-L291 PolarHBondContact O-N 2.85Å; M289-R297 WeakPolarHBondContact O-CD 3.4Å; M289-R297 WeakPolarHBondContact O-CG 3.44Å; M289-R297 PolarHBondContact O-NE 3.23Å; M289-V298 HydrophobicContact CG-CG2 4.25Å; M289-A303 HydrophobicContact CE-CB 4.01Å
290L97.6Very high96.4Very high9 Ų939.3 Ų39.35%0.04721%0.205CC..SBendtrans-95.446.4-174.2-62.9176.7000112.3W208 L223 F224 L286W208-L290 HydrophobicContact CD2-CD2 4.23Å; W208-L290 HydrophobicContact CE3-CD2 4.24Å; W208-L290 HydrophobicContact CZ3-CB 4.39Å; W208-L290 HydrophobicContact CZ3-CD2 4.4Å; L223-L290 HydrophobicContact CD2-CD1 3.59Å; F224-L290 HydrophobicContact CE2-CD2 4.25Å; L286-L290 HydrophobicContact CB-CD1 4.37Å; L286-L290 HydrophobicContact CD2-CD1 4.2Å; L286-L290 WeakPolarHBondContact O-CB 3.49Å; L286-L290 PolarHBondContact O-N 2.9Å
291L95Very high96.4Very high40 Ų4038 Ų3821%0.20919%0.192CC..  trans-92.3135.5174.4-64.8175.7000110.7W208 E287 M289 D293 E296 R297W208-L291 WeakPolarHBondContact CZ3-O 3.46Å; E287-L291 WeakPolarHBondContact O-CD2 3.4Å; E287-L291 WeakPolarHBondContact O-CG 3.22Å; M289-L291 VanDerWaalsContact C-N 3.3Å; M289-L291 PolarHBondContact O-N 2.85Å; L291-D293 VanDerWaalsContact C-N 3.35Å; L291-E296 HydrophobicContact CD1-CB 4.02Å; L291-E296 VanDerWaalsContact CD1-O 3.27Å; L291-E296 WeakPolarHBondContact CD1-O 3.44Å; L291-R297 HydrophobicContact CB-CB 4.46Å; L291-R297 PolarHBondContact O-NE 3.15Å; L291-R297 VanDerWaalsContact O-NE 3.17Å; L291-R297 PolarHBondContact O-NH2 3.02Å
292L92.1Very high96.4Very high19 Ų1938.6 Ų38.610%0.09920%0.195CC..SBendtrans-66.7-38.6176.6-71.5176.3000111.7P192 W208 I236 T240 P243 F247 P294P192-L292 HydrophobicContact CG-CD2 4.02Å; W208-L292 HydrophobicContact CH2-CD2 4.42Å; I236-L292 HydrophobicContact CG2-CD2 3.79Å; T240-L292 HydrophobicContact CG2-CD2 4.44Å; T240-L292 HydrophobicContact CG2-CG 4.44Å; P243-L292 HydrophobicContact CB-CD1 4.02Å; P243-L292 HydrophobicContact CG-CD1 3.94Å; F247-L292 WeakPolarHBondContact CZ-O 3.37Å; L292-P294 WeakPolarHBondContact O-CD 3.26Å
293D91Very high96.4Very high21 Ų2138.6 Ų38.611%0.11220%0.195CC..SBendtrans-76.2113.7173.4-165.8-28.3000109.7F247 K250 L291 E295 E296 R297F247-D293 HydrophobicContact CD2-CB 3.61Å; F247-D293 VanDerWaalsContact CE2-CA 3.5Å; F247-D293 HydrophobicContact CE2-CB 4Å; K250-D293 IonicContact NZ-OD1 3.96Å; K250-D293 IonicContact NZ-OD2 2.72Å; K250-D293 PolarHBondContact NZ-OD2 3.23Å; L291-D293 VanDerWaalsContact C-N 3.35Å; D293-E295 PolarHBondContact O-N 2.78Å; D293-E295 WeakPolarHBondContact OD1-CB 3.44Å; D293-E295 PolarHBondContact OD1-N 3.16Å; D293-E296 HydrophobicContact CB-CB 4.17Å; D293-E296 HydrophobicContact CB-CG 4.01Å; D293-E296 PolarHBondContact O-N 2.83Å; D293-R297 PolarHBondContact O-N 3.32Å
294P91.3Very high96.3Very high8 Ų837.8 Ų37.85%0.05219%0.191CC..THydrogen-bonded Turntrans-71.3-16.9-179.830.5-34.6000113.5M199 T204 L292M199-P294 HydrophobicContact SD-CG 3.53Å; M199-P294 VanDerWaalsContact SD-CG 3.53Å; T204-P294 PolarHBondContact OG1-O 2.71Å; L292-P294 WeakPolarHBondContact O-CD 3.26Å
295E90.5Very high96.3Very high143 Ų14338.4 Ų38.467%0.66819%0.192SC*.THydrogen-bonded Turntrans-77.4-31.5176.1-60.6-178.7158.700111.7K250 D293 R297K250-E295 IonicContact NZ-OE2 2.85Å; K250-E295 PolarHBondContact NZ-OE2 2.98Å; D293-E295 PolarHBondContact O-N 2.78Å; D293-E295 WeakPolarHBondContact OD1-CB 3.44Å; D293-E295 PolarHBondContact OD1-N 3.16Å; E295-R297 VanDerWaalsContact C-N 3.35Å
296E93.4Very high96.3Very high115 Ų11540 Ų4054%0.53720%0.2SC..THydrogen-bonded Turntrans-83.7-14.6176.2-64.2-63.3145.700112.7L291 D293L291-E296 HydrophobicContact CD1-CB 4.02Å; L291-E296 VanDerWaalsContact CD1-O 3.27Å; L291-E296 WeakPolarHBondContact CD1-O 3.44Å; D293-E296 HydrophobicContact CB-CB 4.17Å; D293-E296 HydrophobicContact CB-CG 4.01Å; D293-E296 PolarHBondContact O-N 2.83Å
297R96.1Very high96.2Very high4 Ų444.2 Ų44.22%0.01523%0.228CC..SBendtrans-71.5131.5-179.6-162-178.9-59.4141.53.6109.8E193 T204 I207 M289 L291 D293 E295E193-R297 IonicContact OE1-CZ 3.67Å; E193-R297 IonicContact OE1-NH1 3.85Å; E193-R297 PolarHBondContact OE1-NH1 3.47Å; E193-R297 IonicContact OE1-NH2 3.07Å; E193-R297 PolarHBondContact OE1-NH2 3.32Å; E193-R297 IonicContact OE2-NH2 3.11Å; E193-R297 PolarHBondContact OE2-NH2 3.36Å; T204-R297 VanDerWaalsContact O-CD 3.29Å; T204-R297 WeakPolarHBondContact O-CD 3.22Å; T204-R297 PolarHBondContact O-NH1 2.96Å; I207-R297 HydrophobicContact CB-CG 4.43Å; I207-R297 HydrophobicContact CG2-CG 4.08Å; M289-R297 WeakPolarHBondContact O-CD 3.4Å; M289-R297 WeakPolarHBondContact O-CG 3.44Å; M289-R297 PolarHBondContact O-NE 3.23Å; L291-R297 HydrophobicContact CB-CB 4.46Å; L291-R297 PolarHBondContact O-NE 3.15Å; L291-R297 VanDerWaalsContact O-NE 3.17Å; L291-R297 PolarHBondContact O-NH2 3.02Å; D293-R297 PolarHBondContact O-N 3.32Å; E295-R297 VanDerWaalsContact C-N 3.35Å
298V97.9Very high96.3Very high3 Ų341.6 Ų41.62%0.01822%0.215CC..PPolyproline II helixtrans-58.1143.7177.5-67.40000111.3I207 R288 M289 E302 A303I207-V298 WeakPolarHBondContact CG1-O 3.49Å; I207-V298 HydrophobicContact CG2-CG2 4.17Å; I207-V298 WeakPolarHBondContact CG2-O 3.37Å; R288-V298 HydrophobicContact CB-CG1 3.8Å; R288-V298 HydrophobicContact CB-CG2 3.98Å; R288-V298 HydrophobicContact CG-CG1 4.34Å; R288-V298 VanDerWaalsContact NE-CG1 3.31Å; R288-V298 PolarHBondContact O-N 3.46Å; M289-V298 HydrophobicContact CG-CG2 4.25Å; V298-E302 HydrophobicContact CB-CB 4.13Å; V298-E302 HydrophobicContact CG1-CB 4.38Å; V298-A303 HydrophobicContact CG2-CB 3.93Å
299T98.3Very high96.3Very high33 Ų3336.1 Ų36.120%0.20220%0.195CC..PPolyproline II helixtrans-75.1168.6167.162.20000111.1V301 E302 A303T299-V301 PolarHBondContact O-N 3.33Å; T299-E302 PolarHBondContact N-OE2 3.13Å; T299-E302 PolarHBondContact O-N 2.99Å; T299-E302 VanDerWaalsContact OG1-CD 3.31Å; T299-E302 VanDerWaalsContact OG1-CG 3.3Å; T299-E302 WeakPolarHBondContact OG1-CG 3.42Å; T299-E302 PolarHBondContact OG1-N 3.27Å; T299-E302 PolarHBondContact OG1-OE2 3.18Å; T299-A303 VanDerWaalsContact O-CB 3.25Å; T299-A303 WeakPolarHBondContact O-CB 3.26Å; T299-A303 PolarHBondContact O-N 3.46Å
300A98.1Very high96.1Very high2 Ų239.4 Ų39.42%0.01722%0.222CC..Hα-helixtrans-58.1-39.6173.500000111.9L139 K140 I207 A303 L304L139-A300 HydrophobicContact CB-CB 4.14Å; K140-A300 HydrophobicContact CB-CB 4.13Å; I207-A300 HydrophobicContact CD1-CB 4.03Å; A300-A303 PolarHBondContact O-N 2.92Å; A300-L304 WeakPolarHBondContact O-CD1 3.25Å; A300-L304 VanDerWaalsContact O-CG 3.27Å; A300-L304 WeakPolarHBondContact O-CG 3.34Å; A300-L304 PolarHBondContact O-N 2.87Å
301V97.7Very high96Very high68 Ų6844.7 Ų44.741%0.41225%0.254SS..Hα-helixtrans-63.5-46.8179.51800000111.5K140 T299 S305K140-V301 HydrophobicContact CD-CG2 4.11Å; K140-V301 HydrophobicContact CG-CG2 3.92Å; T299-V301 PolarHBondContact O-N 3.33Å; V301-S305 PolarHBondContact O-OG 2.93Å
302E98.1Very high95.8Very high102 Ų10245.5 Ų45.548%0.47726%0.256SS..Hα-helixtrans-68.5-40.6178.2-68163.114500111.4V298 T299 L304 S305V298-E302 HydrophobicContact CB-CB 4.13Å; V298-E302 HydrophobicContact CG1-CB 4.38Å; T299-E302 PolarHBondContact N-OE2 3.13Å; T299-E302 PolarHBondContact O-N 2.99Å; T299-E302 VanDerWaalsContact OG1-CD 3.31Å; T299-E302 VanDerWaalsContact OG1-CG 3.3Å; T299-E302 WeakPolarHBondContact OG1-CG 3.42Å; T299-E302 PolarHBondContact OG1-N 3.27Å; T299-E302 PolarHBondContact OG1-OE2 3.18Å; E302-L304 PolarHBondContact O-N 2.93Å; E302-S305 WeakPolarHBondContact O-CB 3.39Å; E302-S305 PolarHBondContact O-N 3.31Å
303A98.3Very high95.9Very high0 Ų048.6 Ų48.60%027%0.266CS..Hα-helixtrans-61.2-41.117900000112.4L136 M289 V298 T299 A300 S305 L306 F309L136-A303 HydrophobicContact CD1-CB 3.79Å; L136-A303 HydrophobicContact CD2-CB 3.93Å; L136-A303 HydrophobicContact CG-CB 4.47Å; M289-A303 HydrophobicContact CE-CB 4.01Å; V298-A303 HydrophobicContact CG2-CB 3.93Å; T299-A303 VanDerWaalsContact O-CB 3.25Å; T299-A303 WeakPolarHBondContact O-CB 3.26Å; T299-A303 PolarHBondContact O-N 3.46Å; A300-A303 PolarHBondContact O-N 2.92Å; A303-S305 PolarHBondContact O-N 3.41Å; A303-S305 VanDerWaalsContact O-N 3.15Å; A303-L306 HydrophobicContact CB-CD1 4.46Å; A303-L306 WeakPolarHBondContact O-CB 3.32Å; A303-L306 WeakPolarHBondContact O-CG 3.41Å; A303-L306 PolarHBondContact O-N 3.48Å; A303-F309 WeakPolarHBondContact O-CD2 3.14Å; A303-F309 VanDerWaalsContact O-CE2 3.27Å; A303-F309 WeakPolarHBondContact O-CE2 3.44Å
304L98.1Very high96.1Very high0 Ų052.7 Ų52.70%029%0.285CS..Hα-helixtrans-59-24.3175.1-74163.7000112.9Y133 L136 K137 K140 A300 E302 R313 E318Y133-L304 HydrophobicContact CD2-CD2 3.54Å; Y133-L304 HydrophobicContact CE2-CD2 3.35Å; L136-L304 HydrophobicContact CB-CD2 3.71Å; L136-L304 HydrophobicContact CB-CG 3.94Å; K137-L304 HydrophobicContact CB-CD2 4.42Å; K140-L304 HydrophobicContact CB-CD1 4.06Å; K140-L304 HydrophobicContact CD-CD1 3.8Å; A300-L304 WeakPolarHBondContact O-CD1 3.25Å; A300-L304 VanDerWaalsContact O-CG 3.27Å; A300-L304 WeakPolarHBondContact O-CG 3.34Å; A300-L304 PolarHBondContact O-N 2.87Å; E302-L304 PolarHBondContact O-N 2.93Å; L304-R313 WeakPolarHBondContact O-CD 3.39Å; L304-R313 PolarHBondContact O-NE 3.42Å; L304-E318 HydrophobicContact CD1-CG 4.14Å
305S97.4Very high96.3Very high64 Ų6456.4 Ų56.445%0.44831%0.309SS..THydrogen-bonded Turntrans-88.1-0.8179.3-56.10000114.3V301 E302 A303 R313V301-S305 PolarHBondContact O-OG 2.93Å; E302-S305 WeakPolarHBondContact O-CB 3.39Å; E302-S305 PolarHBondContact O-N 3.31Å; A303-S305 PolarHBondContact O-N 3.41Å; A303-S305 VanDerWaalsContact O-N 3.15Å; S305-R313 VanDerWaalsContact CA-NH1 3.34Å; S305-R313 PolarHBondContact OG-NH1 2.99Å; S305-R313 VanDerWaalsContact OG-NH1 3.13Å; S305-R313 PolarHBondContact OG-NH2 2.76Å
306L97.9Very high96.6Very high35 Ų3554.1 Ų54.118%0.18331%0.314CS..SBendtrans-69.4143.7178.2-65.9172.4000111.2V285 R288 A303 Y308 F309V285-L306 HydrophobicContact CB-CD1 4.39Å; V285-L306 HydrophobicContact CG1-CD1 4.4Å; V285-L306 HydrophobicContact CG2-CB 4.29Å; V285-L306 HydrophobicContact CG2-CD1 3.88Å; R288-L306 HydrophobicContact CB-CD1 4.46Å; A303-L306 HydrophobicContact CB-CD1 4.46Å; A303-L306 WeakPolarHBondContact O-CB 3.32Å; A303-L306 WeakPolarHBondContact O-CG 3.41Å; A303-L306 PolarHBondContact O-N 3.48Å; L306-Y308 PolarHBondContact O-N 2.61Å; L306-F309 HydrophobicContact CB-CD2 4.27Å; L306-F309 HydrophobicContact CB-CE2 4.42Å; L306-F309 PolarHBondContact O-N 3.12Å
307P98Very high96.6Very high89 Ų8951.9 Ų51.958%0.57830%0.304SS*.G310 helixtrans-54.8-27.7-177.6-28.435.2000114.6F309 A310P307-F309 PolarHBondContact O-N 3.33Å; P307-F309 VanDerWaalsContact O-N 3.12Å; P307-A310 WeakPolarHBondContact O-CB 3.41Å; P307-A310 PolarHBondContact O-N 2.85Å
308Y98.3Very high96.6Very high4 Ų452.1 Ų52.12%0.01631%0.305CS..G310 helixtrans-57.6-24.1177.2-173.4-117.7000113.1E125 Q129 M214 Q281 A282 V285 L306E125-Y308 HydrophobicContact CG-CE2 4.27Å; E125-Y308 WeakPolarHBondContact CG-OH 3.33Å; E125-Y308 PolarHBondContact O-OH 2.84Å; Q129-Y308 HydrophobicContact CB-CE1 3.86Å; Q129-Y308 HydrophobicContact CB-CE2 4.39Å; Q129-Y308 HydrophobicContact CG-CD1 4.15Å; Q129-Y308 HydrophobicContact CG-CE1 3.88Å; Q129-Y308 HydrophobicContact CG-CE2 4.32Å; Q129-Y308 WeakPolarHBondContact CG-O 3.32Å; Q129-Y308 PolarHBondContact NE2-O 2.91Å; M214-Y308 HydrophobicContact CE-CD1 4.09Å; M214-Y308 HydrophobicContact CE-CE1 3.49Å; M214-Y308 VanDerWaalsContact CE-CE1 3.49Å; Q281-Y308 HydrophobicContact CB-CD2 3.72Å; Q281-Y308 HydrophobicContact CB-CG 4.32Å; A282-Y308 HydrophobicContact CB-CD2 4.2Å; A282-Y308 HydrophobicContact CB-CE2 3.65Å; V285-Y308 VanDerWaalsContact CG2-CB 3.4Å; V285-Y308 HydrophobicContact CG2-CD1 3.76Å; V285-Y308 HydrophobicContact CG2-CG 3.8Å; L306-Y308 PolarHBondContact O-N 2.61Å
309F97.9Very high96.6Very high0 Ų054.9 Ų54.90%032%0.322CS..G310 helixtrans-101.6-0.3-178-56.5-64.4000114.2Q129 V132 Y133 L136 V285 A303 L306 P307 V311 F312 R313Q129-F309 HydrophobicContact CG-CD1 4.23Å; V132-F309 HydrophobicContact CB-CE1 3.97Å; V132-F309 HydrophobicContact CB-CZ 4.32Å; V132-F309 HydrophobicContact CG1-CE1 3.73Å; V132-F309 HydrophobicContact CG1-CZ 3.56Å; Y133-F309 HydrophobicContact CD2-CB 3.85Å; Y133-F309 HydrophobicContact CD2-CD1 4.23Å; Y133-F309 HydrophobicContact CD2-CG 4.11Å; Y133-F309 HydrophobicContact CE2-CB 4.47Å; Y133-F309 HydrophobicContact CG-CD1 4.49Å; L136-F309 HydrophobicContact CD1-CD2 4.33Å; L136-F309 HydrophobicContact CD1-CE1 4.34Å; L136-F309 HydrophobicContact CD1-CE2 3.53Å; L136-F309 HydrophobicContact CD1-CZ 3.54Å; V285-F309 HydrophobicContact CG1-CE2 4.38Å; V285-F309 HydrophobicContact CG1-CZ 4.16Å; V285-F309 HydrophobicContact CG2-CE2 4.15Å; V285-F309 HydrophobicContact CG2-CZ 4.33Å; A303-F309 WeakPolarHBondContact O-CD2 3.14Å; A303-F309 VanDerWaalsContact O-CE2 3.27Å; A303-F309 WeakPolarHBondContact O-CE2 3.44Å; L306-F309 HydrophobicContact CB-CD2 4.27Å; L306-F309 HydrophobicContact CB-CE2 4.42Å; L306-F309 PolarHBondContact O-N 3.12Å; P307-F309 PolarHBondContact O-N 3.33Å; P307-F309 VanDerWaalsContact O-N 3.12Å; F309-V311 PolarHBondContact O-N 3.43Å; F309-F312 PolarHBondContact O-N 2.9Å; F309-R313 WeakPolarHBondContact O-CB 3.42Å; F309-R313 PolarHBondContact O-N 2.95Å; F309-R313 VanDerWaalsContact O-N 3.1Å
310A95.9Very high96.6Very high69 Ų6959.3 Ų59.357%0.5734%0.341SS*.THydrogen-bonded Turntrans-55.5-32-16900000114.7P307P307-A310 WeakPolarHBondContact O-CB 3.41Å; P307-A310 PolarHBondContact O-N 2.85Å
311V93.8Very high96.4Very high119 Ų11959.8 Ų59.872%0.72135%0.345SS*.THydrogen-bonded Turntrans-70-33.6-178.8178.90000112.7F309F309-V311 PolarHBondContact O-N 3.43Å
312F90.8Very high96.1Very high57 Ų5763.4 Ų63.425%0.2536%0.357CS..THydrogen-bonded Turntrans-102.1-3.5-177.9-64-70.6000113E126 Q129 C130 Y133 F309 E314E126-F312 HydrophobicContact CG-CE2 4.36Å; E126-F312 HydrophobicContact CG-CZ 3.84Å; Q129-F312 HydrophobicContact CB-CD2 4.33Å; Q129-F312 HydrophobicContact CB-CE2 3.98Å; Q129-F312 VanDerWaalsContact CD-CE2 3.41Å; Q129-F312 HydrophobicContact CG-CD2 3.74Å; Q129-F312 HydrophobicContact CG-CE2 3.79Å; C130-F312 HydrophobicContact CB-CD2 4.48Å; C130-F312 HydrophobicContact CB-CE1 4.28Å; C130-F312 HydrophobicContact CB-CE2 4.13Å; C130-F312 HydrophobicContact CB-CZ 4.04Å; Y133-F312 HydrophobicContact CD1-CB 4.08Å; Y133-F312 HydrophobicContact CE1-CB 4.49Å; Y133-F312 VanDerWaalsContact CE1-O 3.27Å; Y133-F312 WeakPolarHBondContact CE1-O 2.98Å; Y133-F312 HydrophobicContact CG-CB 4.36Å; F309-F312 PolarHBondContact O-N 2.9Å; F312-E314 PolarHBondContact O-N 3.23Å
313R95.3Very high95.6Very high84 Ų8463.7 Ų63.732%0.31737%0.368SS..  trans-76.2117.2-166.5-167-176.4-178.1-174.15.2111.2Y133 L304 S305 F309 E318Y133-R313 HydrophobicContact CE2-CB 4.28Å; Y133-R313 HydrophobicContact CE2-CG 4.04Å; L304-R313 WeakPolarHBondContact O-CD 3.39Å; L304-R313 PolarHBondContact O-NE 3.42Å; S305-R313 VanDerWaalsContact CA-NH1 3.34Å; S305-R313 PolarHBondContact OG-NH1 2.99Å; S305-R313 VanDerWaalsContact OG-NH1 3.13Å; S305-R313 PolarHBondContact OG-NH2 2.76Å; F309-R313 WeakPolarHBondContact O-CB 3.42Å; F309-R313 PolarHBondContact O-N 2.95Å; F309-R313 VanDerWaalsContact O-N 3.1Å; R313-E318 WeakPolarHBondContact CG-OE1 3.1Å; R313-E318 IonicContact CZ-OE1 2.96Å; R313-E318 IonicContact CZ-OE2 3.52Å; R313-E318 IonicContact NE-OE1 2.84Å; R313-E318 PolarHBondContact NE-OE1 3.27Å; R313-E318 IonicContact NE-OE2 3.58Å; R313-E318 IonicContact NH2-OE1 3.3Å; R313-E318 IonicContact NH2-OE2 3.55Å; R313-E318 PolarHBondContact NH2-OE2 2.66Å; R313-E318 VanDerWaalsContact NH2-OE2 3.11Å
314E95.1Very high95.2Very high107 Ų10765.2 Ų65.250%0.537%0.374SS..  trans-121.393.3173-64-165.3-156.100110.2Y133 F312 A316 E317Y133-E314 PolarHBondContact OH-N 3.38Å; F312-E314 PolarHBondContact O-N 3.23Å; E314-A316 PolarHBondContact O-N 3.31Å; E314-E317 HydrophobicContact CB-CB 4.35Å; E314-E317 HydrophobicContact CB-CG 3.94Å; E314-E317 PolarHBondContact O-N 2.91Å
315P95.6Very high94.6Very high87 Ų8769.4 Ų69.457%0.56540%0.396SS*.THydrogen-bonded Turntrans-57.4-26.1-174.9-28.136.1000114.9E317 E318P315-E317 VanDerWaalsContact C-N 3.28Å; P315-E317 PolarHBondContact O-N 2.86Å; P315-E318 PolarHBondContact O-N 2.72Å
316A95.7Very high93.6Very high94 Ų9468.4 Ų68.478%0.77739%0.386SS*.THydrogen-bonded Turntrans-68.2-26.3176.800000113.1E314E314-A316 PolarHBondContact O-N 3.31Å
317E94Very high92.9Very high68 Ų6869.2 Ų69.232%0.31840%0.395SS..THydrogen-bonded Turntrans-87-16.2177.1-58-169.2151.300112.4K137 E314 P315 T319K137-E317 HydrophobicContact CD-CB 3.96Å; K137-E317 IonicContact NZ-OE2 3.95Å; K137-E317 PolarHBondContact NZ-OE2 2.67Å; E314-E317 HydrophobicContact CB-CB 4.35Å; E314-E317 HydrophobicContact CB-CG 3.94Å; E314-E317 PolarHBondContact O-N 2.91Å; P315-E317 VanDerWaalsContact C-N 3.28Å; P315-E317 PolarHBondContact O-N 2.86Å; E317-T319 PolarHBondContact O-N 2.94Å
318E97.1Very high92.1Very high10 Ų1067 Ų675%0.04738%0.377CS..  trans-74.659.8177.8-61174.1-167.300111.1Y133 K137 K140 L304 R313 P315Y133-E318 PolarHBondContact OH-OE1 3.01Å; K137-E318 HydrophobicContact CD-CG 4.46Å; K137-E318 HydrophobicContact CG-CG 4.42Å; K140-E318 HydrophobicContact CD-CB 4.09Å; K140-E318 VanDerWaalsContact CE-O 3.26Å; K140-E318 WeakPolarHBondContact CE-O 3.47Å; K140-E318 PolarHBondContact NZ-O 3.46Å; L304-E318 HydrophobicContact CD1-CG 4.14Å; R313-E318 WeakPolarHBondContact CG-OE1 3.1Å; R313-E318 IonicContact CZ-OE1 2.96Å; R313-E318 IonicContact CZ-OE2 3.52Å; R313-E318 IonicContact NE-OE1 2.84Å; R313-E318 PolarHBondContact NE-OE1 3.27Å; R313-E318 IonicContact NE-OE2 3.58Å; R313-E318 IonicContact NH2-OE1 3.3Å; R313-E318 IonicContact NH2-OE2 3.55Å; R313-E318 PolarHBondContact NH2-OE2 2.66Å; R313-E318 VanDerWaalsContact NH2-OE2 3.11Å; P315-E318 PolarHBondContact O-N 2.72Å
319T97.6Very high91Very high60 Ų6067.9 Ų67.937%0.36838%0.381SS..  trans-76.9162.5-173.459.70000113.5H81 E317H81-T319 PolarHBondContact CD2-OG1 3.37Å; H81-T319 VanDerWaalsContact CD2-OG1 3.24Å; E317-T319 PolarHBondContact O-N 2.94Å
320E97.3Very high90.1Very high126 Ų12674.2 Ų74.259%0.58941%0.414SS*.  trans-115152.5175.5-67.6-178.9170.900110.4S144S144-E320 WeakPolarHBondContact OG-CA 3.49Å
321A95.2Very high89.6Confident13 Ų1375 Ų7511%0.10741%0.405CS..PPolyproline II helixtrans-84.6155.7-178.100000111.7Y141 S144 A145Y141-A321 HydrophobicContact CD1-CB 3.94Å; Y141-A321 HydrophobicContact CD2-CB 4.07Å; Y141-A321 HydrophobicContact CE1-CB 3.56Å; Y141-A321 VanDerWaalsContact CE2-CA 3.49Å; Y141-A321 HydrophobicContact CE2-CB 3.73Å; Y141-A321 HydrophobicContact CG-CB 4.16Å; Y141-A321 VanDerWaalsContact CZ-CB 3.44Å; Y141-A321 WeakPolarHBondContact O-CB 3.41Å; S144-A321 PolarHBondContact OG-N 2.93Å; A145-A321 HydrophobicContact CB-CB 3.72Å
322Q91.6Very high89.3Confident144 Ų14478.7 Ų78.767%0.67342%0.415SS*.PPolyproline II helixtrans-66.4152.4163.2-65.3-61.8-43.700110.2H78 Y324H78-Q322 PolarHBondContact CE1-O 3.3Å; H78-Q322 VanDerWaalsContact CE1-O 3.29Å; H78-Q322 PolarHBondContact NE2-O 3.22Å; Q322-Y324 PolarHBondContact O-N 3.49Å
323P87.5Confident89.4Confident108 Ų10877.4 Ų77.470%0.70141%0.41SS*.PPolyproline II helixtrans-53.4132.5176.6-26.334.6000111.9H78H78-P323 PolarHBondContact CE1-O 2.68Å; H78-P323 VanDerWaalsContact CE1-O 3.28Å
324Y88.5Confident89.4Confident32 Ų3276.7 Ų76.713%0.12542%0.415CS..PPolyproline II helixtrans-86.4122.5176.5174-106.5000110.6K74 L75 H78 I147 Q322 N326K74-Y324 HydrophobicContact CB-CE2 4.31Å; L75-Y324 HydrophobicContact CD2-CD1 4.38Å; L75-Y324 HydrophobicContact CD2-CD2 4.01Å; L75-Y324 HydrophobicContact CD2-CE1 4.02Å; L75-Y324 HydrophobicContact CD2-CE2 3.61Å; L75-Y324 HydrophobicContact CD2-CG 4.38Å; L75-Y324 HydrophobicContact CG-CE2 4.22Å; H78-Y324 HydrophobicContact CB-CD2 4.02Å; H78-Y324 HydrophobicContact CB-CE2 4.4Å; H78-Y324 AromaticContact CD2-CD2 3.96Å; H78-Y324 AromaticContact CG-CD2 3.76Å; I147-Y324 HydrophobicContact CD1-CD1 3.95Å; I147-Y324 HydrophobicContact CD1-CD2 4.25Å; I147-Y324 HydrophobicContact CD1-CG 3.74Å; I147-Y324 HydrophobicContact CG1-CD1 4.17Å; I147-Y324 HydrophobicContact CG1-CG 4.4Å; Q322-Y324 PolarHBondContact O-N 3.49Å; Y324-N326 HydrophobicContact CD1-CB 4.09Å; Y324-N326 HydrophobicContact CE1-CB 4.05Å; Y324-N326 PolarHBondContact O-N 2.78Å; Y324-N326 VanDerWaalsContact O-N 3.16Å
325D85.4Confident89.4Confident88 Ų8874.1 Ų74.147%0.47140%0.404SS..  trans-71.6106.6172.2174.516.2000110.4S327D325-S327 WeakPolarHBondContact OD1-CB 3.33Å; D325-S327 PolarHBondContact OD1-N 3.27Å; D325-S327 PolarHBondContact OD1-OG 3.44Å; D325-S327 PolarHBondContact OD2-OG 3.43Å
326N77.6Confident89.4Confident42 Ų4275.4 Ų75.423%0.22541%0.406CS..  trans-99.912.8178.974.8-43.7000113Q175 Y324 H328 E329Q175-N326 HydrophobicContact CG-CB 4.5Å; Q175-N326 PolarHBondContact NE2-ND2 3.03Å; Q175-N326 PolarHBondContact OE1-ND2 2.9Å; Y324-N326 HydrophobicContact CD1-CB 4.09Å; Y324-N326 HydrophobicContact CE1-CB 4.05Å; Y324-N326 PolarHBondContact O-N 2.78Å; Y324-N326 VanDerWaalsContact O-N 3.16Å; N326-H328 PolarHBondContact O-N 2.93Å; N326-E329 HydrophobicContact CB-CB 4.41Å; N326-E329 VanDerWaalsContact O-CB 3.26Å; N326-E329 WeakPolarHBondContact O-CB 3.26Å; N326-E329 PolarHBondContact O-N 2.81Å
327S83.2Confident89.4Confident53 Ų5375.2 Ų75.237%0.37139%0.389SS..THydrogen-bonded Turntrans-58.7-7.9-173.163.20000115.4D325 K331D325-S327 WeakPolarHBondContact OD1-CB 3.33Å; D325-S327 PolarHBondContact OD1-N 3.27Å; D325-S327 PolarHBondContact OD1-OG 3.44Å; D325-S327 PolarHBondContact OD2-OG 3.43Å; S327-K331 WeakPolarHBondContact O-CD 3.42Å; S327-K331 WeakPolarHBondContact O-CE 3.28Å; S327-K331 PolarHBondContact O-NZ 3.01Å
328H79.9Confident89.4Confident43 Ų4372.2 Ų72.220%0.19938%0.375CS..THydrogen-bonded Turntrans-93.5-13.9174.1-69.8-86000114F70 N326 D330 K331 W338F70-H328 HydrophobicContact CE1-CB 4.02Å; F70-H328 AromaticContact CE1-CG 3.9Å; N326-H328 PolarHBondContact O-N 2.93Å; H328-D330 PolarHBondContact O-N 3.38Å; H328-K331 PolarHBondContact O-N 3.49Å; H328-W338 HydrophobicContact CB-CH2 4.06Å; H328-W338 HydrophobicContact CB-CZ3 4.2Å; H328-W338 WeakPolarHBondContact O-CH2 3.36Å
329E76.1Confident89.3Confident22 Ų2273.1 Ų73.110%0.10338%0.379CS..THydrogen-bonded Turntrans-68.6-36.2-169.8-164.762.1-163.400112.2K67 R71 N326K67-E329 VanDerWaalsContact CE-O 3.28Å; K67-E329 WeakPolarHBondContact CE-O 3.37Å; K67-E329 PolarHBondContact NZ-O 3.27Å; R71-E329 IonicContact CZ-OE1 2.87Å; R71-E329 IonicContact CZ-OE2 2.76Å; R71-E329 IonicContact NE-OE1 3.87Å; R71-E329 PolarHBondContact NE-OE1 3.16Å; R71-E329 VanDerWaalsContact NE-OE1 3.12Å; R71-E329 IonicContact NE-OE2 3.2Å; R71-E329 PolarHBondContact NE-OE2 3.45Å; R71-E329 IonicContact NH2-OE1 2.76Å; R71-E329 PolarHBondContact NH2-OE1 3.34Å; R71-E329 IonicContact NH2-OE2 2.66Å; R71-E329 PolarHBondContact NH2-OE2 2.8Å; N326-E329 HydrophobicContact CB-CB 4.41Å; N326-E329 VanDerWaalsContact O-CB 3.26Å; N326-E329 WeakPolarHBondContact O-CB 3.26Å; N326-E329 PolarHBondContact O-N 2.81Å
330D79.8Confident89.3Confident132 Ų13277.9 Ų77.971%0.70639%0.39SS*.THydrogen-bonded Turntrans-92.90.8178.6-55.8-42.7000113.2H328H328-D330 PolarHBondContact O-N 3.38Å
331K85.1Confident89.2Confident86 Ų8673.3 Ų73.337%0.37437%0.372SS..  trans-79.7126179.4-65.4-178.1179.4145.20110.7S327 H328 L333S327-K331 WeakPolarHBondContact O-CD 3.42Å; S327-K331 WeakPolarHBondContact O-CE 3.28Å; S327-K331 PolarHBondContact O-NZ 3.01Å; H328-K331 PolarHBondContact O-N 3.49Å; K331-L333 HydrophobicContact CB-CD1 4.36Å; K331-L333 HydrophobicContact CB-CD2 3.98Å; K331-L333 HydrophobicContact CB-CG 3.82Å; K331-L333 HydrophobicContact CD-CD2 4.41Å; K331-L333 PolarHBondContact O-N 2.95Å
332E87.9Confident89.1Confident197 Ų19772.7 Ų72.792%0.92137%0.367SS*.  trans-85.692.2163.5-65-171.2166.600108.5
333L92.6Very high89.3Confident30 Ų3066.9 Ų66.916%0.15734%0.339CS..  trans-103.4144.8177.6-55.7-179.7000110.6K331 Q337 W338K331-L333 HydrophobicContact CB-CD1 4.36Å; K331-L333 HydrophobicContact CB-CD2 3.98Å; K331-L333 HydrophobicContact CB-CG 3.82Å; K331-L333 HydrophobicContact CD-CD2 4.41Å; K331-L333 PolarHBondContact O-N 2.95Å; L333-Q337 VanDerWaalsContact CA-OE1 3.28Å; L333-Q337 HydrophobicContact CB-CB 3.84Å; L333-Q337 HydrophobicContact CD1-CB 4.49Å; L333-W338 HydrophobicContact CB-CD2 4.12Å; L333-W338 HydrophobicContact CB-CG 4.27Å; L333-W338 HydrophobicContact CB-CZ2 4.04Å; L333-W338 HydrophobicContact CD1-CD2 4.09Å; L333-W338 HydrophobicContact CD1-CE3 4.01Å; L333-W338 HydrophobicContact CD1-CH2 3.84Å; L333-W338 HydrophobicContact CD1-CZ2 3.92Å; L333-W338 HydrophobicContact CD1-CZ3 3.88Å; L333-W338 HydrophobicContact CG-CH2 4.37Å; L333-W338 HydrophobicContact CG-CZ2 4.01Å; L333-W338 VanDerWaalsContact O-CD1 3.26Å; L333-W338 PolarHBondContact O-NE1 3.09Å; L333-W338 VanDerWaalsContact O-NE1 3.14Å
334T95.6Very high89.7Confident68 Ų6865.6 Ų65.642%0.41733%0.329SS..  trans-66.1162.9172.671.50000111.1E63 D336 Q337 W338E63-T334 WeakPolarHBondContact OE1-CA 3.31Å; T334-D336 VanDerWaalsContact C-N 3.28Å; T334-D336 PolarHBondContact O-N 2.91Å; T334-Q337 WeakPolarHBondContact O-CB 3.46Å; T334-Q337 PolarHBondContact O-N 3.23Å; T334-Q337 VanDerWaalsContact O-N 3.09Å; T334-Q337 WeakPolarHBondContact OG1-CG 3.26Å; T334-Q337 PolarHBondContact OG1-N 3.45Å; T334-Q337 PolarHBondContact OG1-OE1 2.82Å; T334-W338 PolarHBondContact O-N 3.21Å
335L94.6Very high89.9Confident53 Ų5365.4 Ų65.428%0.27733%0.33SS..Hα-helixtrans-53-44.1177.6-173.664.9000113.1F60 E63 A66 Q337 W338 K339F60-L335 HydrophobicContact CB-CD1 4.11Å; F60-L335 WeakPolarHBondContact O-CD2 3.14Å; E63-L335 HydrophobicContact CG-CB 4.3Å; A66-L335 HydrophobicContact CB-CD1 3.71Å; L335-Q337 VanDerWaalsContact C-N 3.33Å; L335-Q337 PolarHBondContact O-N 2.65Å; L335-W338 PolarHBondContact O-N 3.24Å; L335-K339 VanDerWaalsContact O-CB 3.25Å; L335-K339 WeakPolarHBondContact O-CB 3.44Å; L335-K339 PolarHBondContact O-N 2.84Å
336D94.5Very high90.3Very high114 Ų11461.9 Ų61.961%0.6131%0.311SS*.Hα-helixtrans-68.6-33-179.8-75.2-28.3000112.6T334 R340T334-D336 VanDerWaalsContact C-N 3.28Å; T334-D336 PolarHBondContact O-N 2.91Å; D336-R340 WeakPolarHBondContact O-CB 3.49Å; D336-R340 PolarHBondContact O-N 3.47Å
337Q95.6Very high91Very high90 Ų9065.8 Ų65.842%0.42133%0.331SS..Hα-helixtrans-67.7-46.8174.5-72.4172-27.100110.8L333 T334 L335 K339 R340 C341L333-Q337 VanDerWaalsContact CA-OE1 3.28Å; L333-Q337 HydrophobicContact CB-CB 3.84Å; L333-Q337 HydrophobicContact CD1-CB 4.49Å; T334-Q337 WeakPolarHBondContact O-CB 3.46Å; T334-Q337 PolarHBondContact O-N 3.23Å; T334-Q337 VanDerWaalsContact O-N 3.09Å; T334-Q337 WeakPolarHBondContact OG1-CG 3.26Å; T334-Q337 PolarHBondContact OG1-N 3.45Å; T334-Q337 PolarHBondContact OG1-OE1 2.82Å; L335-Q337 VanDerWaalsContact C-N 3.33Å; L335-Q337 PolarHBondContact O-N 2.65Å; Q337-K339 VanDerWaalsContact C-N 3.31Å; Q337-K339 PolarHBondContact O-N 2.92Å; Q337-R340 WeakPolarHBondContact O-CB 3.36Å; Q337-R340 PolarHBondContact O-N 3.42Å; Q337-C341 PolarHBondContact O-N 3.31Å; Q337-C341 PolarHBondContact O-SG 3Å; Q337-C341 VanDerWaalsContact O-SG 3.33Å
338W95.5Very high91.4Very high5 Ų566 Ų662%0.01933%0.333CS..Hα-helixtrans-59.7-43.2174.1-78.2121.4000112.5A66 K67 F70 H328 L333 T334 L335 R340 C341 A342A66-W338 HydrophobicContact CB-CB 3.64Å; A66-W338 HydrophobicContact CB-CG 4.11Å; K67-W338 HydrophobicContact CB-CD2 4.17Å; K67-W338 HydrophobicContact CB-CZ2 3.94Å; K67-W338 HydrophobicContact CD-CH2 4.37Å; K67-W338 HydrophobicContact CD-CZ2 3.74Å; K67-W338 HydrophobicContact CG-CH2 3.95Å; K67-W338 HydrophobicContact CG-CZ2 3.61Å; F70-W338 HydrophobicContact CB-CE3 4.07Å; F70-W338 HydrophobicContact CB-CZ3 4.43Å; F70-W338 AromaticContact CD1-CE3 3.84Å; F70-W338 HydrophobicContact CD1-CE3 3.84Å; F70-W338 HydrophobicContact CD1-CH2 4.48Å; F70-W338 AromaticContact CD1-CZ3 3.4Å; F70-W338 HydrophobicContact CD1-CZ3 3.4Å; F70-W338 VanDerWaalsContact CD1-CZ3 3.4Å; F70-W338 HydrophobicContact CE1-CE3 4.49Å; F70-W338 AromaticContact CE1-CZ3 3.83Å; F70-W338 HydrophobicContact CE1-CZ3 3.83Å; F70-W338 AromaticContact CG-CE3 3.98Å; F70-W338 HydrophobicContact CG-CE3 3.98Å; F70-W338 HydrophobicContact CG-CZ3 4.04Å; H328-W338 HydrophobicContact CB-CH2 4.06Å; H328-W338 HydrophobicContact CB-CZ3 4.2Å; H328-W338 WeakPolarHBondContact O-CH2 3.36Å; L333-W338 HydrophobicContact CB-CD2 4.12Å; L333-W338 HydrophobicContact CB-CG 4.27Å; L333-W338 HydrophobicContact CB-CZ2 4.04Å; L333-W338 HydrophobicContact CD1-CD2 4.09Å; L333-W338 HydrophobicContact CD1-CE3 4.01Å; L333-W338 HydrophobicContact CD1-CH2 3.84Å; L333-W338 HydrophobicContact CD1-CZ2 3.92Å; L333-W338 HydrophobicContact CD1-CZ3 3.88Å; L333-W338 HydrophobicContact CG-CH2 4.37Å; L333-W338 HydrophobicContact CG-CZ2 4.01Å; L333-W338 VanDerWaalsContact O-CD1 3.26Å; L333-W338 PolarHBondContact O-NE1 3.09Å; L333-W338 VanDerWaalsContact O-NE1 3.14Å; T334-W338 PolarHBondContact O-N 3.21Å; L335-W338 PolarHBondContact O-N 3.24Å; W338-R340 VanDerWaalsContact C-N 3.31Å; W338-R340 PolarHBondContact O-N 3.46Å; W338-C341 WeakPolarHBondContact O-CB 3.46Å; W338-C341 PolarHBondContact O-N 3.4Å; W338-A342 PolarHBondContact O-N 3.15Å
339K95.4Very high91.9Very high29 Ų2965.3 Ų65.313%0.12633%0.329CS..Hα-helixtrans-60.2-42.1176.8-174.4178.7173.6-179.50111.5F60 L97 F100 L335 Q337 F343F60-K339 HydrophobicContact CD1-CB 4.1Å; F60-K339 HydrophobicContact CD1-CG 4.23Å; F60-K339 HydrophobicContact CD2-CD 4.49Å; F60-K339 HydrophobicContact CD2-CG 4.31Å; F60-K339 HydrophobicContact CE1-CB 4.28Å; F60-K339 HydrophobicContact CE1-CG 4.3Å; F60-K339 HydrophobicContact CE2-CG 4.37Å; F60-K339 HydrophobicContact CG-CB 4.49Å; F60-K339 HydrophobicContact CG-CD 4.46Å; F60-K339 HydrophobicContact CG-CG 4.26Å; F60-K339 HydrophobicContact CZ-CG 4.39Å; L97-K339 HydrophobicContact CD1-CG 3.96Å; L97-K339 WeakPolarHBondContact O-CE 3.49Å; L97-K339 PolarHBondContact O-NZ 2.98Å; L97-K339 VanDerWaalsContact O-NZ 3.09Å; F100-K339 HydrophobicContact CD1-CD 4.47Å; F100-K339 HydrophobicContact CD1-CG 3.59Å; F100-K339 HydrophobicContact CE1-CG 4.2Å; F100-K339 WeakPolarHBondContact O-CE 3.37Å; F100-K339 PolarHBondContact O-NZ 3.29Å; L335-K339 VanDerWaalsContact O-CB 3.25Å; L335-K339 WeakPolarHBondContact O-CB 3.44Å; L335-K339 PolarHBondContact O-N 2.84Å; Q337-K339 VanDerWaalsContact C-N 3.31Å; Q337-K339 PolarHBondContact O-N 2.92Å; K339-F343 WeakPolarHBondContact O-CB 3.48Å; K339-F343 PolarHBondContact O-N 3.48Å
340R95.7Very high92.2Very high160 Ų16072.4 Ų72.460%0.60436%0.362SS*.Hα-helixtrans-63.4-46.2173.8-174178.6-67.4-150.6-0.6111.6L97 D336 Q337 W338 A342 F343 T344L97-R340 HydrophobicContact CD1-CB 4.41Å; L97-R340 HydrophobicContact CD2-CB 4.06Å; L97-R340 HydrophobicContact CD2-CG 4.1Å; D336-R340 WeakPolarHBondContact O-CB 3.49Å; D336-R340 PolarHBondContact O-N 3.47Å; Q337-R340 WeakPolarHBondContact O-CB 3.36Å; Q337-R340 PolarHBondContact O-N 3.42Å; W338-R340 VanDerWaalsContact C-N 3.31Å; W338-R340 PolarHBondContact O-N 3.46Å; R340-A342 PolarHBondContact O-N 3.2Å; R340-F343 PolarHBondContact O-N 2.64Å; R340-T344 WeakPolarHBondContact O-CB 3.36Å; R340-T344 PolarHBondContact O-N 2.91Å; R340-T344 PolarHBondContact O-OG1 3.48Å
341C95.2Very high92.1Very high30 Ų3071.3 Ų71.320%0.20335%0.348CS..Hα-helixtrans-57.1-49.8176.5-69.60000111.5F70 Q337 W338 F343 T344 E345F70-C341 HydrophobicContact CD2-CB 3.84Å; F70-C341 HydrophobicContact CE2-CB 3.51Å; F70-C341 HydrophobicContact CZ-CB 3.97Å; Q337-C341 PolarHBondContact O-N 3.31Å; Q337-C341 PolarHBondContact O-SG 3Å; Q337-C341 VanDerWaalsContact O-SG 3.33Å; W338-C341 WeakPolarHBondContact O-CB 3.46Å; W338-C341 PolarHBondContact O-N 3.4Å; C341-F343 PolarHBondContact O-N 3.09Å; C341-T344 PolarHBondContact O-N 3.22Å; C341-E345 WeakPolarHBondContact O-CG 3.45Å; C341-E345 PolarHBondContact O-N 3.31Å
342A95Very high90.9Very high0 Ų070.1 Ų70.10%035%0.348CS..Hα-helixtrans-61.3-45.3177.500000112.1F60 F70 F100 W338 R340 T344 E345 I346F60-A342 HydrophobicContact CE1-CB 4.29Å; F60-A342 HydrophobicContact CZ-CB 4.35Å; F70-A342 HydrophobicContact CD2-CB 4.18Å; F100-A342 HydrophobicContact CE1-CB 4.17Å; W338-A342 PolarHBondContact O-N 3.15Å; R340-A342 PolarHBondContact O-N 3.2Å; A342-T344 PolarHBondContact O-N 3.03Å; A342-E345 PolarHBondContact O-N 3.33Å; A342-I346 VanDerWaalsContact O-CG1 3.22Å; A342-I346 WeakPolarHBondContact O-CG1 3.02Å; A342-I346 PolarHBondContact O-N 2.91Å
343F95.3Very high89.1Confident23 Ų2369 Ų6910%0.10135%0.348CS..Hα-helixtrans-61.8-42.5179.2-165-108.6000112.1T92 L97 F100 K339 R340 C341 I346 L347T92-F343 HydrophobicContact CG2-CE2 4.13Å; L97-F343 HydrophobicContact CB-CD1 4.25Å; L97-F343 HydrophobicContact CB-CE1 4.4Å; L97-F343 HydrophobicContact CD1-CB 3.74Å; L97-F343 HydrophobicContact CD1-CD1 4.21Å; L97-F343 HydrophobicContact CD1-CG 4Å; F100-F343 HydrophobicContact CB-CD2 4.04Å; F100-F343 HydrophobicContact CB-CE2 4.29Å; F100-F343 HydrophobicContact CD1-CB 3.87Å; F100-F343 AromaticContact CD1-CD2 3.69Å; F100-F343 HydrophobicContact CD1-CD2 3.69Å; F100-F343 HydrophobicContact CD1-CG 4.17Å; F100-F343 AromaticContact CD2-CD2 3.99Å; F100-F343 HydrophobicContact CD2-CD2 3.99Å; F100-F343 HydrophobicContact CD2-CE2 4.42Å; F100-F343 HydrophobicContact CE1-CB 3.85Å; F100-F343 HydrophobicContact CE1-CD2 4.05Å; F100-F343 HydrophobicContact CE1-CG 4.46Å; F100-F343 HydrophobicContact CE2-CD2 4.32Å; F100-F343 AromaticContact CG-CD2 3.66Å; F100-F343 HydrophobicContact CG-CD2 3.66Å; F100-F343 HydrophobicContact CG-CE2 4.26Å; F100-F343 HydrophobicContact CZ-CD2 4.35Å; K339-F343 WeakPolarHBondContact O-CB 3.48Å; K339-F343 PolarHBondContact O-N 3.48Å; R340-F343 PolarHBondContact O-N 2.64Å; C341-F343 PolarHBondContact O-N 3.09Å; F343-I346 PolarHBondContact O-N 3.2Å; F343-L347 HydrophobicContact CD1-CD1 3.81Å; F343-L347 HydrophobicContact CD1-CG 4.38Å; F343-L347 HydrophobicContact CE1-CD1 3.51Å; F343-L347 HydrophobicContact CE1-CG 4.21Å; F343-L347 HydrophobicContact CZ-CD1 4.18Å; F343-L347 WeakPolarHBondContact O-CG 3.3Å; F343-L347 PolarHBondContact O-N 3.41Å
344T94.4Very high86.9Confident80 Ų8072.6 Ų72.649%0.49137%0.367SS..Hα-helixtrans-63.4-42175.5-60.60000112.1R340 C341 A342 I346 L347 S348R340-T344 WeakPolarHBondContact O-CB 3.36Å; R340-T344 PolarHBondContact O-N 2.91Å; R340-T344 PolarHBondContact O-OG1 3.48Å; C341-T344 PolarHBondContact O-N 3.22Å; A342-T344 PolarHBondContact O-N 3.03Å; T344-I346 VanDerWaalsContact C-N 3.32Å; T344-I346 PolarHBondContact O-N 2.92Å; T344-L347 PolarHBondContact O-N 2.93Å; T344-S348 WeakPolarHBondContact O-CB 3.25Å; T344-S348 PolarHBondContact O-N 3.14Å; T344-S348 PolarHBondContact O-OG 3.4Å
345E93.6Very high84.2Confident29 Ų2975.5 Ų75.514%0.13638%0.379CS..Hα-helixtrans-63.9-37.6176.4-74.4-67.9172.700112.3F70 L73 K74 K77 C341 A342 S348 F349F70-E345 HydrophobicContact CD2-CG 4.49Å; F70-E345 HydrophobicContact CE2-CG 3.6Å; F70-E345 HydrophobicContact CZ-CG 4.28Å; L73-E345 HydrophobicContact CD2-CB 3.76Å; L73-E345 HydrophobicContact CG-CB 4.45Å; K74-E345 HydrophobicContact CD-CG 3.89Å; K74-E345 VanDerWaalsContact CD-OE1 3.26Å; K74-E345 WeakPolarHBondContact CD-OE1 2.87Å; K74-E345 IonicContact NZ-OE1 3.82Å; K74-E345 PolarHBondContact NZ-OE1 2.75Å; K77-E345 IonicContact NZ-OE2 3.48Å; K77-E345 PolarHBondContact NZ-OE2 2.88Å; C341-E345 WeakPolarHBondContact O-CG 3.45Å; C341-E345 PolarHBondContact O-N 3.31Å; A342-E345 PolarHBondContact O-N 3.33Å; E345-S348 WeakPolarHBondContact CA-OG 3.37Å; E345-S348 PolarHBondContact O-OG 3.09Å; E345-F349 PolarHBondContact O-N 3.26Å; E345-F349 VanDerWaalsContact O-N 3.15Å
346I94.6Very high81.4Confident13 Ų1376.8 Ų76.87%0.06740%0.398CS..Hα-helixtrans-65-46.4175.4-65.7166.4000110.7L73 V90 F100 F103 A342 F343 T344 S348 F349L73-I346 HydrophobicContact CD2-CG1 3.84Å; V90-I346 HydrophobicContact CG1-CG1 4.48Å; V90-I346 HydrophobicContact CG1-CG2 4.39Å; V90-I346 HydrophobicContact CG2-CD1 4.4Å; V90-I346 HydrophobicContact CG2-CG1 3.77Å; V90-I346 HydrophobicContact CG2-CG2 4.37Å; F100-I346 HydrophobicContact CE1-CD1 4.48Å; F100-I346 HydrophobicContact CE2-CD1 3.95Å; F100-I346 HydrophobicContact CZ-CD1 3.51Å; F103-I346 HydrophobicContact CB-CD1 3.61Å; F103-I346 HydrophobicContact CD1-CD1 4.08Å; F103-I346 HydrophobicContact CD2-CD1 4.13Å; F103-I346 HydrophobicContact CG-CD1 3.7Å; A342-I346 VanDerWaalsContact O-CG1 3.22Å; A342-I346 WeakPolarHBondContact O-CG1 3.02Å; A342-I346 PolarHBondContact O-N 2.91Å; F343-I346 PolarHBondContact O-N 3.2Å; T344-I346 VanDerWaalsContact C-N 3.32Å; T344-I346 PolarHBondContact O-N 2.92Å; I346-S348 VanDerWaalsContact C-N 3.33Å; I346-S348 PolarHBondContact O-N 3Å; I346-F349 WeakPolarHBondContact O-CB 3.39Å; I346-F349 PolarHBondContact O-N 3.34Å
347L91.4Very high78.5Confident124 Ų12480 Ų8065%0.64941%0.406SS*.Hα-helixtrans-68.8-30.8-179.2-69-179.2000113.3F343 T344 F349F343-L347 HydrophobicContact CD1-CD1 3.81Å; F343-L347 HydrophobicContact CD1-CG 4.38Å; F343-L347 HydrophobicContact CE1-CD1 3.51Å; F343-L347 HydrophobicContact CE1-CG 4.21Å; F343-L347 HydrophobicContact CZ-CD1 4.18Å; F343-L347 WeakPolarHBondContact O-CG 3.3Å; F343-L347 PolarHBondContact O-N 3.41Å; T344-L347 PolarHBondContact O-N 2.93Å; L347-F349 VanDerWaalsContact C-N 3.34Å
348S91.3Very high75.6Confident59 Ų5984.1 Ų84.141%0.41343%0.426SS..THydrogen-bonded Turntrans-87.4-1.4177.962.30000113.6T344 E345 I346 Q350T344-S348 WeakPolarHBondContact O-CB 3.25Å; T344-S348 PolarHBondContact O-N 3.14Å; T344-S348 PolarHBondContact O-OG 3.4Å; E345-S348 WeakPolarHBondContact CA-OG 3.37Å; E345-S348 PolarHBondContact O-OG 3.09Å; I346-S348 VanDerWaalsContact C-N 3.33Å; I346-S348 PolarHBondContact O-N 3Å; S348-Q350 PolarHBondContact O-N 3.42Å
349F91.6Very high72.4Confident27 Ų2790.1 Ų90.112%0.11846%0.463CS..  trans-66.5109179.4-175.6-99.8000110.5K77 L87 V90 E345 I346 L347 R351K77-F349 HydrophobicContact CD-CD2 4.18Å; K77-F349 HydrophobicContact CG-CD2 4.24Å; K77-F349 HydrophobicContact CG-CE2 4.29Å; L87-F349 HydrophobicContact CB-CE2 4.23Å; L87-F349 HydrophobicContact CB-CZ 4.33Å; L87-F349 HydrophobicContact CD2-CD2 3.98Å; L87-F349 HydrophobicContact CD2-CE2 3.6Å; L87-F349 HydrophobicContact CD2-CZ 4.11Å; L87-F349 HydrophobicContact CG-CE2 4Å; L87-F349 HydrophobicContact CG-CZ 4.04Å; V90-F349 HydrophobicContact CG1-CB 3.6Å; V90-F349 HydrophobicContact CG1-CD1 3.86Å; V90-F349 HydrophobicContact CG1-CD2 4.1Å; V90-F349 HydrophobicContact CG1-CG 3.57Å; E345-F349 PolarHBondContact O-N 3.26Å; E345-F349 VanDerWaalsContact O-N 3.15Å; I346-F349 WeakPolarHBondContact O-CB 3.39Å; I346-F349 PolarHBondContact O-N 3.34Å; L347-F349 VanDerWaalsContact C-N 3.34Å; F349-R351 HydrophobicContact CD1-CG 4.29Å; F349-R351 HydrophobicContact CE1-CG 4.06Å
350Q82.4Confident69.3Low171 Ų17194.2 Ų94.280%0.79949%0.493SS*.  trans-83.2120.8168.1-67.4-178.3-9.900108.2S348 T352S348-Q350 PolarHBondContact O-N 3.42Å; Q350-T352 PolarHBondContact O-N 3.18Å; Q350-T352 VanDerWaalsContact O-N 3.12Å
351R76.3Confident66.3Low110 Ų11098.5 Ų98.542%0.41553%0.526SS..  trans-62.3116.5176.9-70.2173.6173.8167-2.1108.9D89 F349 L353D89-R351 IonicContact OD1-CZ 3.07Å; D89-R351 IonicContact OD1-NE 2.73Å; D89-R351 PolarHBondContact OD1-NE 3.05Å; D89-R351 IonicContact OD1-NH2 2.62Å; D89-R351 PolarHBondContact OD1-NH2 3.1Å; D89-R351 IonicContact OD2-CZ 3.1Å; D89-R351 IonicContact OD2-NE 3.45Å; D89-R351 IonicContact OD2-NH2 3.32Å; D89-R351 PolarHBondContact OD2-NH2 3.1Å; F349-R351 HydrophobicContact CD1-CG 4.29Å; F349-R351 HydrophobicContact CE1-CG 4.06Å; R351-L353 PolarHBondContact O-N 3.33Å
352T60Low64.8Low61 Ų61101.9 Ų101.937%0.37454%0.542SS..  trans-68.6115.9171.1-22.40000107.8Q350 L354Q350-T352 PolarHBondContact O-N 3.18Å; Q350-T352 VanDerWaalsContact O-N 3.12Å; T352-L354 HydrophobicContact CG2-CB 4.38Å; T352-L354 HydrophobicContact CG2-CD1 3.44Å; T352-L354 VanDerWaalsContact CG2-CD1 3.44Å; T352-L354 HydrophobicContact CG2-CG 3.59Å; T352-L354 PolarHBondContact O-N 2.88Å
353L49.7Very low63.2Low173 Ų173107.3 Ų107.391%0.90657%0.571SS**  trans-71.963.7164.1-66.1166.9000107.6R351 D355R351-L353 PolarHBondContact O-N 3.33Å; L353-D355 PolarHBondContact O-N 3.09Å
354L47Very low61.4Low106 Ų106111.9 Ų111.956%0.55560%0.597SS**  trans-89.3101.9176.5-91.6162.1000108.4T352 A356T352-L354 HydrophobicContact CG2-CB 4.38Å; T352-L354 HydrophobicContact CG2-CD1 3.44Å; T352-L354 VanDerWaalsContact CG2-CD1 3.44Å; T352-L354 HydrophobicContact CG2-CG 3.59Å; T352-L354 PolarHBondContact O-N 2.88Å; L354-A356 PolarHBondContact O-N 3.33Å
355D39.9Very low59.5Low128 Ų128113.8 Ų113.868%0.68460%0.603SS**  trans32.885.2152-59.6-25.2000116L353 K357L353-D355 PolarHBondContact O-N 3.09Å; D355-K357 PolarHBondContact O-N 3.46Å
356A35.2Very low57.4Low80 Ų80119.1 Ų119.166%0.66163%0.632SS**  trans-61.476.8141.400000107.7L354 E358L354-A356 PolarHBondContact O-N 3.33Å; A356-E358 VanDerWaalsContact C-N 3.25Å; A356-E358 PolarHBondContact O-N 3.49Å
357K34.2Very low54.9Low181 Ų181126.2 Ų126.279%0.78767%0.67SS**  trans-63104.8153.8-82.9-172.1178.8179.50104.8D355 T359D355-K357 PolarHBondContact O-N 3.46Å; K357-T359 PolarHBondContact O-N 3.48Å
358E33.8Very low52.3Low178 Ų178126.4 Ų126.483%0.83267%0.671SS**  trans-44107.9164.1-63.7176.215600107.4A356 P360A356-E358 VanDerWaalsContact C-N 3.25Å; A356-E358 PolarHBondContact O-N 3.49Å; E358-P360 VanDerWaalsContact O-CD 3.31Å; E358-P360 WeakPolarHBondContact O-CD 3.48Å
359T28.9Very low49.3Very low130 Ų130131.5 Ų131.580%0.79869%0.691SS**  trans-80.8108.8153.2-17.10000104.2K357K357-T359 PolarHBondContact O-N 3.48Å
360P29.8Very low45.8Very low116 Ų116140.3 Ų140.375%0.75374%0.739SS**  trans-60.8146.6173.7-14.629.9000108.9E358E358-P360 VanDerWaalsContact O-CD 3.31Å; E358-P360 WeakPolarHBondContact O-CD 3.48Å
361L32Very low42.4Very low249 Ų249137.5 Ų137.5100%1.30473%0.734SS**  trans-37.80-178.5-80.5156000116.1

Retrieved 361 of 361 residues in 71.4 ms (Link to these results)

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